1-(azepan-1-ylsulfonyl)piperidin-4-amine

C11H23N3O2S — CID 28783161

IUPAC1-(azepan-1-ylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C11H23N3O2S/c12-11-5-9-14(10-6-11)17(15,16)13-7-3-1-2-4-8-13/h11H,1-10,12H2
InChIKeyMKYGCEHBCLDYKP-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.53
Rot. Bonds2

About 1-(azepan-1-ylsulfonyl)piperidin-4-amine

1-(azepan-1-ylsulfonyl)piperidin-4-amine (PubChem CID 28783161) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(azepan-1-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(azepan-1-ylsulfonyl)piperidin-4-amine
PubChem CID28783161
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC Name1-(azepan-1-ylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C11H23N3O2S/c12-11-5-9-14(10-6-11)17(15,16)13-7-3-1-2-4-8-13/h11H,1-10,12H2
InChIKeyMKYGCEHBCLDYKP-UHFFFAOYSA-N
XLogP0.53
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Piperazinylsulfonyl)azepane hydrochloride
CID 2985869
1-(Piperazine-1-sulfonyl)azepane
CID 2985870
(2S)-N-cycloheptyl-2-methylpiperidine-1-sulfonamide
CID 35295064
4-(Diethylsulfamoylamino)-1-propylpiperidine
CID 53529219
N-(3-aminobutyl)azepane-1-sulfonamide
CID 63251227
N-[(2S)-1-aminohexan-2-yl]azepane-1-sulfonamide
CID 99628716
4-Aminopiperidine-1-sulfonamide
CID 24708471
4-Amino-n,n-dimethylpiperidine-1-sulfonamide
CID 28787699
n-Cyclohexylpiperidine-1-sulfonamide
CID 224938
N-(2-methyl-3-piperidin-1-ylpropyl)azepane-1-sulfonamide
CID 45916265
1-Piperazin-1-ylsulfonylazepane chloride
CID 53351990
2-Cyclohexyl-1,2,6-thiadiazinane 1,1-dioxide
CID 12335813

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(azepan-1-ylsulfonyl)piperidin-4-amine (CID 28783161) is 1-(azepan-1-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(azepan-1-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(azepan-1-ylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepan-1-ylsulfonyl)piperidin-4-amine?
The InChIKey is MKYGCEHBCLDYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c12-11-5-9-14(10-6-11)17(15,16)13-7-3-1-2-4-8-13/h11H,1-10,12H2.
What are the key properties of 1-(azepan-1-ylsulfonyl)piperidin-4-amine?
1-(azepan-1-ylsulfonyl)piperidin-4-amine has a molecular weight of 261.39 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 28783161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).