3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine

C13H21ClN4O2S — CID 64602429

IUPAC3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1Cl
InChIInChI=1S/C13H21ClN4O2S/c1-10(2)17-4-6-18(7-5-17)21(19,20)11-8-12(14)13(15-3)16-9-11/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyJZKOJBDZIWBVOX-UHFFFAOYSA-N
MW332.86 g/mol
LogP1.49
Rot. Bonds4

About 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine

3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine (PubChem CID 64602429) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine
PubChem CID64602429
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC Name3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine
SMILESCNc1ncc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1Cl
InChIInChI=1S/C13H21ClN4O2S/c1-10(2)17-4-6-18(7-5-17)21(19,20)11-8-12(14)13(15-3)16-9-11/h8-10H,4-7H2,1-3H3,(H,15,16)
InChIKeyJZKOJBDZIWBVOX-UHFFFAOYSA-N
XLogP1.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608504
3-chloro-5-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-N-methylpyridin-2-amine
CID 64602625
3-chloro-5-(4-methoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64608915
3-chloro-N-methyl-5-(4-propylpiperidin-1-yl)sulfonylpyridin-2-amine
CID 64601309
3-chloro-5-(2,4-dimethylpiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64602085
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339
3-chloro-N-methyl-5-(3-methylthiomorpholin-4-yl)sulfonylpyridin-2-amine
CID 64600747
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
[3-chloro-5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 79180624
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
1-[[5-chloro-6-(propylamino)-3-pyridinyl]sulfonyl]piperidin-4-ol
CID 64608688

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine (CID 64602429) is 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine is CNc1ncc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is JZKOJBDZIWBVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2S/c1-10(2)17-4-6-18(7-5-17)21(19,20)11-8-12(14)13(15-3)16-9-11/h8-10H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine?
3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 332.86 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-(4-propan-2-ylpiperazin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 64602429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).