2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide

C16H20N2O4S — CID 174337157

IUPAC2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide
SMILESCC1(C)C=C(N2CCCCC2=O)c2cc(S(N)(=O)=O)ccc2O1
InChIInChI=1S/C16H20N2O4S/c1-16(2)10-13(18-8-4-3-5-15(18)19)12-9-11(23(17,20)21)6-7-14(12)22-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,17,20,21)
InChIKeyALBLJSMGCQXOIQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.86
Rot. Bonds2

About 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide

2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide (PubChem CID 174337157) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide
PubChem CID174337157
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide
SMILESCC1(C)C=C(N2CCCCC2=O)c2cc(S(N)(=O)=O)ccc2O1
InChIInChI=1S/C16H20N2O4S/c1-16(2)10-13(18-8-4-3-5-15(18)19)12-9-11(23(17,20)21)6-7-14(12)22-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,17,20,21)
InChIKeyALBLJSMGCQXOIQ-UHFFFAOYSA-N
XLogP1.86
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]piperidin-2-one
CID 19905356
4-(2-bromoethyl)-1-(6-chloro-2,2-dimethylchromen-4-yl)piperazin-2-one
CID 139980062
4-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]-2,2-dimethylchromene-6-carbonitrile;hydrochloride
CID 139667234
N-(4-methoxyphenyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-sulfonamide
CID 11112956
1-(2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
CID 154335214
1-(8-chloro-2,2-dimethyl-1H-quinolin-4-yl)pyrrolidin-2-one
CID 67869814
1-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitrochromen-4-yl]pyrrolidin-2-one
CID 19387042
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide
CID 46549243
3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide
CID 21434436
1-(4-amino-3-bromophenyl)piperidin-2-one
CID 82864557
2,2-dimethyl-4-(5-oxo-6-sulfanylidene-2H-pyridin-1-yl)chromene-6-carbonitrile
CID 22122760
N-[(2R)-butan-2-yl]-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 42346693

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide?
The IUPAC name of 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide (CID 174337157) is 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide?
The canonical SMILES for 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide is CC1(C)C=C(N2CCCCC2=O)c2cc(S(N)(=O)=O)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide?
The InChIKey is ALBLJSMGCQXOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-16(2)10-13(18-8-4-3-5-15(18)19)12-9-11(23(17,20)21)6-7-14(12)22-16/h6-7,9-10H,3-5,8H2,1-2H3,(H2,17,20,21).
What are the key properties of 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide?
2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-oxopiperidin-1-yl)chromene-6-sulfonamide is sourced from PubChem (CID 174337157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).