2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide

C14H21N3O3S — CID 62575123

IUPAC2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
SMILESNc1cnccc1S(=O)(=O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H21N3O3S/c15-12-9-16-8-7-13(12)21(19,20)10-14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,15H2,(H,17,18)
InChIKeyQLQFHLFAKVHBOS-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.28
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide

2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide (PubChem CID 62575123) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
PubChem CID62575123
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
SMILESNc1cnccc1S(=O)(=O)CC(=O)NC1CCCCCC1
InChIInChI=1S/C14H21N3O3S/c15-12-9-16-8-7-13(12)21(19,20)10-14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,15H2,(H,17,18)
InChIKeyQLQFHLFAKVHBOS-UHFFFAOYSA-N
XLogP1.28
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
CID 43299948
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
CID 62575287
2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide
CID 81191498
2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide
CID 81185115
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
4-amino-N-cycloheptylpyridine-3-carboxamide
CID 81236590
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
CID 94804331
2-[(3-amino-4-pyridinyl)sulfonyl]-1-morpholin-4-ylethanone
CID 62113459
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide
CID 43300055
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-cyclooctyl-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfonylacetamide
CID 86889898

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide (CID 62575123) is 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide is Nc1cnccc1S(=O)(=O)CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide?
The InChIKey is QLQFHLFAKVHBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c15-12-9-16-8-7-13(12)21(19,20)10-14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,15H2,(H,17,18).
What are the key properties of 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide?
2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide has a molecular weight of 311.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide is sourced from PubChem (CID 62575123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).