2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide

C19H25NO3S — CID 97051872

IUPAC2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
SMILESCS(=O)(=O)CC1(CC(=O)NC[C@H]2C[C@]23CCc2ccccc23)CC1
InChIInChI=1S/C19H25NO3S/c1-24(22,23)13-18(8-9-18)11-17(21)20-12-15-10-19(15)7-6-14-4-2-3-5-16(14)19/h2-5,15H,6-13H2,1H3,(H,20,21)/t15-,19-/m1/s1
InChIKeyDRSPNRGIGHXWHO-DNVCBOLYSA-N
MW347.48 g/mol
LogP2.22
Rot. Bonds6

About 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide

2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide (PubChem CID 97051872) has the molecular formula C19H25NO3S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
PubChem CID97051872
Molecular FormulaC19H25NO3S
Molecular Weight347.48 g/mol
Exact Mass347.16
IUPAC Name2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
SMILESCS(=O)(=O)CC1(CC(=O)NC[C@H]2C[C@]23CCc2ccccc23)CC1
InChIInChI=1S/C19H25NO3S/c1-24(22,23)13-18(8-9-18)11-17(21)20-12-15-10-19(15)7-6-14-4-2-3-5-16(14)19/h2-5,15H,6-13H2,1H3,(H,20,21)/t15-,19-/m1/s1
InChIKeyDRSPNRGIGHXWHO-DNVCBOLYSA-N
XLogP2.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylsulfamoyl)-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide
CID 98566487
1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
(2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide
CID 100576463
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226718
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226716
2-(1H-pyrazol-5-yl)-N-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
CID 97222942
3-methyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]furan-2-carboxamide
CID 97051941
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyridine-3-carboxamide
CID 97051894
N-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051055
1-(2-hydroxyethyl)-1-propyl-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97055271
N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97051053

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide?
The IUPAC name of 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide (CID 97051872) is 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide?
The canonical SMILES for 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide is CS(=O)(=O)CC1(CC(=O)NC[C@H]2C[C@]23CCc2ccccc23)CC1.
What is the InChIKey of 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide?
The InChIKey is DRSPNRGIGHXWHO-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H25NO3S/c1-24(22,23)13-18(8-9-18)11-17(21)20-12-15-10-19(15)7-6-14-4-2-3-5-16(14)19/h2-5,15H,6-13H2,1H3,(H,20,21)/t15-,19-/m1/s1.
What are the key properties of 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide?
2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide has a molecular weight of 347.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide is sourced from PubChem (CID 97051872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).