(2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide

C18H25NO3S — CID 100576463

IUPAC(2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide
SMILESCCCS(=O)(=O)[C@H](C)C(=O)NC[C@H]1C[C@]12CCc1ccccc12
InChIInChI=1S/C18H25NO3S/c1-3-10-23(21,22)13(2)17(20)19-12-15-11-18(15)9-8-14-6-4-5-7-16(14)18/h4-7,13,15H,3,8-12H2,1-2H3,(H,19,20)/t13-,15-,18-/m1/s1
InChIKeyKMVRGDZTBRKZKX-DDUZABMNSA-N
MW335.47 g/mol
LogP2.22
Rot. Bonds6

About (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide

(2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide (PubChem CID 100576463) has the molecular formula C18H25NO3S and a molecular weight of 335.47 g/mol. Its IUPAC name is (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide
PubChem CID100576463
Molecular FormulaC18H25NO3S
Molecular Weight335.47 g/mol
Exact Mass335.16
IUPAC Name(2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide
SMILESCCCS(=O)(=O)[C@H](C)C(=O)NC[C@H]1C[C@]12CCc1ccccc12
InChIInChI=1S/C18H25NO3S/c1-3-10-23(21,22)13(2)17(20)19-12-15-11-18(15)9-8-14-6-4-5-7-16(14)18/h4-7,13,15H,3,8-12H2,1-2H3,(H,19,20)/t13-,15-,18-/m1/s1
InChIKeyKMVRGDZTBRKZKX-DDUZABMNSA-N
XLogP2.22
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
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
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)propan-2-amine
CID 62707821
2-[1-(methylsulfonylmethyl)cyclopropyl]-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]acetamide
CID 97051872
1-(2-hydroxyethyl)-1-propyl-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97055271
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
(2R)-2-(hydroxymethyl)-N-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]pyrrolidine-1-carboxamide
CID 97055283
3-methyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]furan-2-carboxamide
CID 97051941
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100592197
1-(1-propanoylpyrrolidin-3-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
CID 86769618
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97227402

Frequently Asked Questions

What is the IUPAC name of (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide?
The IUPAC name of (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide (CID 100576463) is (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide is CCCS(=O)(=O)[C@H](C)C(=O)NC[C@H]1C[C@]12CCc1ccccc12.
What is the InChIKey of (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide?
The InChIKey is KMVRGDZTBRKZKX-DDUZABMNSA-N. The full InChI is InChI=1S/C18H25NO3S/c1-3-10-23(21,22)13(2)17(20)19-12-15-11-18(15)9-8-14-6-4-5-7-16(14)18/h4-7,13,15H,3,8-12H2,1-2H3,(H,19,20)/t13-,15-,18-/m1/s1.
What are the key properties of (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide?
(2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide has a molecular weight of 335.47 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 (2R)-2-propylsulfonyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]propanamide is sourced from PubChem (CID 100576463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).