[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide

C16H18N2O5S — CID 125174119

IUPAC[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc2c(=O)cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)oc2c1
InChIInChI=1S/C16H18N2O5S/c1-10-2-3-12-13(19)7-15(23-14(12)6-10)16(20)18-5-4-11(8-18)9-24(17,21)22/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,17,21,22)/t11-/m0/s1
InChIKeyGZDZCIDSCLIYSM-NSHDSACASA-N
MW350.40 g/mol
LogP0.85
Rot. Bonds3

About [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide

[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 125174119) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID125174119
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCc1ccc2c(=O)cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)oc2c1
InChIInChI=1S/C16H18N2O5S/c1-10-2-3-12-13(19)7-15(23-14(12)6-10)16(20)18-5-4-11(8-18)9-24(17,21)22/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,17,21,22)/t11-/m0/s1
InChIKeyGZDZCIDSCLIYSM-NSHDSACASA-N
XLogP0.85
TPSA110.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125174116
[1-(furan-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 118788568
7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one
CID 124751539
2-[(3R)-3-aminopyrrolidine-1-carbonyl]-5-methylchromen-4-one
CID 138533301
2-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 166615463
[1-(3,4-dichlorobenzoyl)pyrrolidin-3-yl]methanesulfonamide
CID 118779062
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
[(3R)-1-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]pyrrolidin-3-yl]methanesulfonamide
CID 126451013
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
[1-[1-(difluoromethyl)-5-methylpyrrole-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 118760689
2-[4-(2-methylpropylsulfonyl)piperidine-1-carbonyl]chromen-4-one
CID 90590040

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide (CID 125174119) is [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide is Cc1ccc2c(=O)cc(C(=O)N3CC[C@H](CS(N)(=O)=O)C3)oc2c1.
What is the InChIKey of [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is GZDZCIDSCLIYSM-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-10-2-3-12-13(19)7-15(23-14(12)6-10)16(20)18-5-4-11(8-18)9-24(17,21)22/h2-3,6-7,11H,4-5,8-9H2,1H3,(H2,17,21,22)/t11-/m0/s1.
What are the key properties of [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide?
[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 350.40 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125174119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).