N-(3-aminopropyl)-N-propylazepane-1-sulfonamide

C12H27N3O2S — CID 43136938

IUPACN-(3-aminopropyl)-N-propylazepane-1-sulfonamide
SMILESCCCN(CCCN)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-2-9-14(12-7-8-13)18(16,17)15-10-5-3-4-6-11-15/h2-13H2,1H3
InChIKeyKKHZOLAGHJZIFB-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.17
Rot. Bonds7

About N-(3-aminopropyl)-N-propylazepane-1-sulfonamide

N-(3-aminopropyl)-N-propylazepane-1-sulfonamide (PubChem CID 43136938) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propylazepane-1-sulfonamide
PubChem CID43136938
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-(3-aminopropyl)-N-propylazepane-1-sulfonamide
SMILESCCCN(CCCN)S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-2-9-14(12-7-8-13)18(16,17)15-10-5-3-4-6-11-15/h2-13H2,1H3
InChIKeyKKHZOLAGHJZIFB-UHFFFAOYSA-N
XLogP1.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

N-(3-aminobutyl)azepane-1-sulfonamide
CID 63251227
N-[(2S)-1-aminohexan-2-yl]azepane-1-sulfonamide
CID 99628716
1-(Dibutylsulfamoylamino)hexane
CID 134984427
N-(3-amino-2,2-difluoropropyl)azepane-1-sulfonamide
CID 113577788
3-fluoro-N-methylazepane-1-sulfonamide
CID 126994099
N-(2-methyl-3-piperidin-1-ylpropyl)azepane-1-sulfonamide
CID 45916265
Azepane-1-sulfonic acid dimethylamide
CID 4069524
N-methylazepane-1-sulfonamide
CID 28784575
1-Pyrrolidin-1-ylsulfonylazepan-4-amine
CID 69823372
N-Butylazepane-1-sulfonamide
CID 71367847
6-Aminohexyl(butyl)sulfamic acid
CID 88834066
4-(Sulfamoylamino)azepane
CID 107172753

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-propylazepane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-propylazepane-1-sulfonamide (CID 43136938) is N-(3-aminopropyl)-N-propylazepane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propylazepane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-propylazepane-1-sulfonamide is CCCN(CCCN)S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-propylazepane-1-sulfonamide?
The InChIKey is KKHZOLAGHJZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-2-9-14(12-7-8-13)18(16,17)15-10-5-3-4-6-11-15/h2-13H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-propylazepane-1-sulfonamide?
N-(3-aminopropyl)-N-propylazepane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propylazepane-1-sulfonamide is sourced from PubChem (CID 43136938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).