(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide

C14H29N3O2S — CID 96579953

IUPAC(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H](NC2CCCCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-16(2)20(18,19)17-11-7-6-10-14(12-17)15-13-8-4-3-5-9-13/h13-15H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyNPBBXQFNFBDAPE-CQSZACIVSA-N
MW303.47 g/mol
LogP1.57
Rot. Bonds4

About (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide

(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide (PubChem CID 96579953) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
PubChem CID96579953
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC[C@@H](NC2CCCCC2)C1
InChIInChI=1S/C14H29N3O2S/c1-16(2)20(18,19)17-11-7-6-10-14(12-17)15-13-8-4-3-5-9-13/h13-15H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyNPBBXQFNFBDAPE-CQSZACIVSA-N
XLogP1.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide?
The IUPAC name of (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide (CID 96579953) is (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide.
What is the SMILES notation for (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide?
The canonical SMILES for (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC[C@@H](NC2CCCCC2)C1.
What is the InChIKey of (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide?
The InChIKey is NPBBXQFNFBDAPE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-16(2)20(18,19)17-11-7-6-10-14(12-17)15-13-8-4-3-5-9-13/h13-15H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide?
(3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide has a molecular weight of 303.47 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohexylamino)-N,N-dimethylazepane-1-sulfonamide is sourced from PubChem (CID 96579953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).