1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine

C13H27N3O2S — CID 60820122

IUPAC1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-2-14-13-7-11-16(12-8-13)19(17,18)15-9-5-3-4-6-10-15/h13-14H,2-12H2,1H3
InChIKeyPBYXOYKJQNWAQQ-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.18
Rot. Bonds4

About 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine

1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine (PubChem CID 60820122) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine
PubChem CID60820122
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-2-14-13-7-11-16(12-8-13)19(17,18)15-9-5-3-4-6-10-15/h13-14H,2-12H2,1H3
InChIKeyPBYXOYKJQNWAQQ-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-piperidin-1-ylsulfonylpiperidin-4-amine
CID 60819803
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
N-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]cyclopropanamine
CID 63855301
N-cyclopropyl-4-(ethylamino)piperidine-1-sulfonamide
CID 114803095
N,3-diethyl-1-pyrrolidin-1-ylsulfonylpiperidin-4-amine
CID 114507131
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
N-ethyl-1-methylsulfonylazepan-3-amine
CID 121359011
N-[[1-(azepan-1-ylsulfonyl)piperidin-3-yl]methyl]cyclopropanamine
CID 63880154
1-morpholin-4-ylsulfonyl-N-propylpiperidin-4-amine
CID 54923533
N-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-4-amine
CID 107910858
3-methyl-1-piperidin-1-ylsulfonyl-N-propylpiperidin-4-amine
CID 114499016
1-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]ethanol
CID 103834616

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine (CID 60820122) is 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine?
The InChIKey is PBYXOYKJQNWAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-2-14-13-7-11-16(12-8-13)19(17,18)15-9-5-3-4-6-10-15/h13-14H,2-12H2,1H3.
What are the key properties of 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine?
1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine has a molecular weight of 289.44 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine is sourced from PubChem (CID 60820122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).