2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide

C18H26N2O4S — CID 119957742

IUPAC2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NC1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C18H26N2O4S/c1-25(22,23)11-8-14(19)17(21)20-15-12-18(9-4-5-10-18)24-16-7-3-2-6-13(15)16/h2-3,6-7,14-15H,4-5,8-12,19H2,1H3,(H,20,21)
InChIKeyIJTZCMCHVPHDJL-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide

2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide (PubChem CID 119957742) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
PubChem CID119957742
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NC1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C18H26N2O4S/c1-25(22,23)11-8-14(19)17(21)20-15-12-18(9-4-5-10-18)24-16-7-3-2-6-13(15)16/h2-3,6-7,14-15H,4-5,8-12,19H2,1H3,(H,20,21)
InChIKeyIJTZCMCHVPHDJL-UHFFFAOYSA-N
XLogP1.70
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 119341975
3-amino-2-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide
CID 120502115
2-amino-3-methyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpentanamide;hydrochloride
CID 119815681
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylmethanesulfonamide
CID 56922318
N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]methanesulfonamide
CID 95706500
N-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylmethanesulfonamide
CID 71920585
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
2-(2-fluorophenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133166982

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide?
The IUPAC name of 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide (CID 119957742) is 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide is CS(=O)(=O)CCC(N)C(=O)NC1CC2(CCCC2)Oc2ccccc21.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide?
The InChIKey is IJTZCMCHVPHDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-25(22,23)11-8-14(19)17(21)20-15-12-18(9-4-5-10-18)24-16-7-3-2-6-13(15)16/h2-3,6-7,14-15H,4-5,8-12,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide?
2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide has a molecular weight of 366.48 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylbutanamide is sourced from PubChem (CID 119957742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).