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

C14H21N3OS — CID 43299948

IUPAC2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
SMILESNc1cnccc1SCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H21N3OS/c15-12-9-16-8-7-13(12)19-10-14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,15H2,(H,17,18)
InChIKeyAPGXDYOALRQKIX-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.59
Rot. Bonds4

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

2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide (PubChem CID 43299948) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
PubChem CID43299948
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide
SMILESNc1cnccc1SCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H21N3OS/c15-12-9-16-8-7-13(12)19-10-14(18)17-11-5-3-1-2-4-6-11/h7-9,11H,1-6,10,15H2,(H,17,18)
InChIKeyAPGXDYOALRQKIX-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 43299826
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cyclopentylpropanamide
CID 43300055
2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
CID 62575123
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(azocan-1-yl)ethanone
CID 43299913
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 43299864
2-(2-amino-5-bromophenyl)sulfanyl-N-cyclopentylacetamide
CID 79533636
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
CID 62575287
2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
2-(5-amino-2-methylphenyl)sulfanyl-N-cycloheptylacetamide
CID 79141959
2-(4-aminophenyl)sulfanyl-N-cyclopentylacetamide
CID 19317767
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanyl-N-cyclopentylbenzamide
CID 9214809
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide (CID 43299948) is 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide is Nc1cnccc1SCC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide?
The InChIKey is APGXDYOALRQKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c15-12-9-16-8-7-13(12)19-10-14(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)sulfanyl]-N-cycloheptylacetamide?
2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide has a molecular weight of 279.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)sulfanyl]-N-cycloheptylacetamide is sourced from PubChem (CID 43299948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).