N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide

C16H24N2O4S2 — CID 128664245

IUPACN-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide
SMILESO=C(c1sccc1S(=O)(=O)NC1CCCCCC1)N1CCCOC1
InChIInChI=1S/C16H24N2O4S2/c19-16(18-9-5-10-22-12-18)15-14(8-11-23-15)24(20,21)17-13-6-3-1-2-4-7-13/h8,11,13,17H,1-7,9-10,12H2
InChIKeyYXAQFDMVHIEPHC-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.57
Rot. Bonds4

About N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide

N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide (PubChem CID 128664245) has the molecular formula C16H24N2O4S2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide
PubChem CID128664245
Molecular FormulaC16H24N2O4S2
Molecular Weight372.51 g/mol
Exact Mass372.12
IUPAC NameN-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide
SMILESO=C(c1sccc1S(=O)(=O)NC1CCCCCC1)N1CCCOC1
InChIInChI=1S/C16H24N2O4S2/c19-16(18-9-5-10-22-12-18)15-14(8-11-23-15)24(20,21)17-13-6-3-1-2-4-7-13/h8,11,13,17H,1-7,9-10,12H2
InChIKeyYXAQFDMVHIEPHC-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609997
piperidin-1-yl-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 51338450
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488818
3-[(1-propylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709073
methyl 3-[(1-cyclopropylpiperidin-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 18148661
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylsulfamoyl)thiophene-2-carboxylic acid
CID 112732174
1,4-diazepan-1-yl-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119414929
(3-morpholin-4-ylsulfonylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532948
2-[4-(methylamino)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119561195
2-[3-(oxan-4-yl)pyrrolidine-1-carbonyl]thiophene-3-sulfonamide
CID 154742383
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide?
The IUPAC name of N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide (CID 128664245) is N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide?
The canonical SMILES for N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide is O=C(c1sccc1S(=O)(=O)NC1CCCCCC1)N1CCCOC1.
What is the InChIKey of N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide?
The InChIKey is YXAQFDMVHIEPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S2/c19-16(18-9-5-10-22-12-18)15-14(8-11-23-15)24(20,21)17-13-6-3-1-2-4-7-13/h8,11,13,17H,1-7,9-10,12H2.
What are the key properties of N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide?
N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide has a molecular weight of 372.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1,3-oxazinane-3-carbonyl)thiophene-3-sulfonamide is sourced from PubChem (CID 128664245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).