1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine

C13H24N4O2S — CID 56915163

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine
SMILESCCn1cc(S(=O)(=O)N2CCCC(N(C)C)CC2)cn1
InChIInChI=1S/C13H24N4O2S/c1-4-16-11-13(10-14-16)20(18,19)17-8-5-6-12(7-9-17)15(2)3/h10-12H,4-9H2,1-3H3
InChIKeyRIWRYPGWUMZMIN-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.01
Rot. Bonds4

About 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine

1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine (PubChem CID 56915163) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine
PubChem CID56915163
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine
SMILESCCn1cc(S(=O)(=O)N2CCCC(N(C)C)CC2)cn1
InChIInChI=1S/C13H24N4O2S/c1-4-16-11-13(10-14-16)20(18,19)17-8-5-6-12(7-9-17)15(2)3/h10-12H,4-9H2,1-3H3
InChIKeyRIWRYPGWUMZMIN-UHFFFAOYSA-N
XLogP1.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
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1-cyclopentyl-1H-pyrazole-4-sulfonamide
CID 61394785
1-ethyl-1H-pyrazole-4-sulfonamide
CID 17262698
1-((1-methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine hydrochloride
CID 53536972
1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54595051
1-(propan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61394736
1-ethyl-N,N-dimethyl-1H-pyrazole-4-sulfonamide
CID 19684369
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 31076603
3-Ethyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine
CID 47034904

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine (CID 56915163) is 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine is CCn1cc(S(=O)(=O)N2CCCC(N(C)C)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine?
The InChIKey is RIWRYPGWUMZMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-4-16-11-13(10-14-16)20(18,19)17-8-5-6-12(7-9-17)15(2)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine?
1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine has a molecular weight of 300.43 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-N,N-dimethylazepan-4-amine is sourced from PubChem (CID 56915163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).