N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide

C12H27N3O2S — CID 43136963

IUPACN-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(2)15(11-7-8-13)18(16,17)14-9-5-3-4-6-10-14/h12H,3-11,13H2,1-2H3
InChIKeyWZUKDAJXOQFHAM-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.17
Rot. Bonds6

About N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide

N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide (PubChem CID 43136963) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide
PubChem CID43136963
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-12(2)15(11-7-8-13)18(16,17)14-9-5-3-4-6-10-14/h12H,3-11,13H2,1-2H3
InChIKeyWZUKDAJXOQFHAM-UHFFFAOYSA-N
XLogP1.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Diethylsulfamoylamino)cycloheptane
CID 53509201
N-(3-aminobutyl)azepane-1-sulfonamide
CID 63251227
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CID 70744067
N-[(2S)-1-aminohexan-2-yl]azepane-1-sulfonamide
CID 99628716
N-(3-azepan-1-ylpropyl)-N'-isopropyl-N,N'-dimethylsulfamide
CID 131924856
N-(Azepan-4-yl)-N-cyclobutylmethanesulfonamide
CID 86811733
N-(2,2,2-trifluoroethylsulfamoyl)azepan-4-amine
CID 107172813
4-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]azepane
CID 107173041
N-(azepan-4-yl)-N-methylmethanesulfonamide
CID 66509989
N-methylazepane-1-sulfonamide
CID 28784575
1-Pyrrolidin-1-ylsulfonylazepan-4-amine
CID 69823372
N-Butylazepane-1-sulfonamide
CID 71367847

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide (CID 43136963) is N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide is CC(C)N(CCCN)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide?
The InChIKey is WZUKDAJXOQFHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-12(2)15(11-7-8-13)18(16,17)14-9-5-3-4-6-10-14/h12H,3-11,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide?
N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-ylazepane-1-sulfonamide is sourced from PubChem (CID 43136963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).