[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone

C13H18N4O3S — CID 65425898

IUPAC[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESNc1ncccc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H18N4O3S/c14-12-11(2-1-5-15-12)21(19,20)17-8-6-16(7-9-17)13(18)10-3-4-10/h1-2,5,10H,3-4,6-9H2,(H2,14,15)
InChIKeyQPAMMXYULFLTSO-UHFFFAOYSA-N
MW310.38 g/mol
LogP-0.09
Rot. Bonds3

About [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 65425898) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID65425898
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESNc1ncccc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C13H18N4O3S/c14-12-11(2-1-5-15-12)21(19,20)17-8-6-16(7-9-17)13(18)10-3-4-10/h1-2,5,10H,3-4,6-9H2,(H2,14,15)
InChIKeyQPAMMXYULFLTSO-UHFFFAOYSA-N
XLogP-0.09
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylsulfonylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62992089
3-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55043946
(3R,4S)-1-[(2-amino-3-pyridinyl)sulfonyl]pyrrolidine-3,4-diol
CID 107213209
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905
3-(4-methoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 62145337
cyclopropyl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26947408
3-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonylpyridin-2-amine
CID 62156935
methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 115533411
cyclopentyl-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110364822
3-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 79188499
(4-pyridin-2-ylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
CID 3239277
[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110799419

Frequently Asked Questions

What is the IUPAC name of [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone (CID 65425898) is [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone is Nc1ncccc1S(=O)(=O)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is QPAMMXYULFLTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c14-12-11(2-1-5-15-12)21(19,20)17-8-6-16(7-9-17)13(18)10-3-4-10/h1-2,5,10H,3-4,6-9H2,(H2,14,15).
What are the key properties of [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 310.38 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-amino-3-pyridinyl)sulfonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 65425898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).