2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide

C12H17N3O3S — CID 64823132

IUPAC2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2CCCC2N)cn1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)11-6-5-8(7-14-11)15-12(16)9-3-2-4-10(9)13/h5-7,9-10H,2-4,13H2,1H3,(H,15,16)
InChIKeyIIDIBJDNWZLHHZ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.55
Rot. Bonds3

About 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide

2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide (PubChem CID 64823132) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide
PubChem CID64823132
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2CCCC2N)cn1
InChIInChI=1S/C12H17N3O3S/c1-19(17,18)11-6-5-8(7-14-11)15-12(16)9-3-2-4-10(9)13/h5-7,9-10H,2-4,13H2,1H3,(H,15,16)
InChIKeyIIDIBJDNWZLHHZ-UHFFFAOYSA-N
XLogP0.55
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide (CID 64823132) is 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide is CS(=O)(=O)c1ccc(NC(=O)C2CCCC2N)cn1.
What is the InChIKey of 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide?
The InChIKey is IIDIBJDNWZLHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-19(17,18)11-6-5-8(7-14-11)15-12(16)9-3-2-4-10(9)13/h5-7,9-10H,2-4,13H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide?
2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64823132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).