1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine

C13H27N3O2S — CID 115304810

IUPAC1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-13(14-2)7-11-16(12-8-13)19(17,18)15-9-5-3-4-6-10-15/h14H,3-12H2,1-2H3
InChIKeyIIBXGNCOORVCQQ-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.18
Rot. Bonds3

About 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine

1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine (PubChem CID 115304810) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine
PubChem CID115304810
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-13(14-2)7-11-16(12-8-13)19(17,18)15-9-5-3-4-6-10-15/h14H,3-12H2,1-2H3
InChIKeyIIBXGNCOORVCQQ-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

1-(difluoromethylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304771
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
4-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxylic acid
CID 63123862
1-(2,2-dimethylpropylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304752
N,4-dimethyl-1-(2-methylpropylsulfonyl)piperidin-4-amine
CID 115304775
N-methyl-1-piperidin-1-ylsulfonylpiperidin-4-amine
CID 60819803
4-methyl-4-(methylamino)-N-propylpiperidine-1-sulfonamide
CID 114811227
[1-(azepan-1-ylsulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777813
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
1-(azetidin-1-ylsulfonyl)azetidine
CID 69400792
2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanesulfonamide
CID 114385516

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine (CID 115304810) is 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine?
The InChIKey is IIBXGNCOORVCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-13(14-2)7-11-16(12-8-13)19(17,18)15-9-5-3-4-6-10-15/h14H,3-12H2,1-2H3.
What are the key properties of 1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine?
1-(azepan-1-ylsulfonyl)-N,4-dimethylpiperidin-4-amine has a molecular weight of 289.44 g/mol, XLogP of 1.18, 3 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,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115304810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).