2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide

C10H14ClN3O3S — CID 114052256

IUPAC2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H14ClN3O3S/c1-18(16,17)5-3-8(12)10(15)14-9-6-7(11)2-4-13-9/h2,4,6,8H,3,5,12H2,1H3,(H,13,14,15)
InChIKeyRCVCCFPEASESON-UHFFFAOYSA-N
MW291.76 g/mol
LogP0.44
Rot. Bonds5

About 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide

2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide (PubChem CID 114052256) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide
PubChem CID114052256
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Name2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C10H14ClN3O3S/c1-18(16,17)5-3-8(12)10(15)14-9-6-7(11)2-4-13-9/h2,4,6,8H,3,5,12H2,1H3,(H,13,14,15)
InChIKeyRCVCCFPEASESON-UHFFFAOYSA-N
XLogP0.44
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide (CID 114052256) is 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide?
The InChIKey is RCVCCFPEASESON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-18(16,17)5-3-8(12)10(15)14-9-6-7(11)2-4-13-9/h2,4,6,8H,3,5,12H2,1H3,(H,13,14,15).
What are the key properties of 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide?
2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide has a molecular weight of 291.76 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 114052256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).