N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide

C12H27N3O2S — CID 86814102

IUPACN-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-3-12(13,4-2)11-14-18(16,17)15-9-7-5-6-8-10-15/h14H,3-11,13H2,1-2H3
InChIKeyVKEZMEUULCCRAW-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.21
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide

N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide (PubChem CID 86814102) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
PubChem CID86814102
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-3-12(13,4-2)11-14-18(16,17)15-9-7-5-6-8-10-15/h14H,3-11,13H2,1-2H3
InChIKeyVKEZMEUULCCRAW-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide (CID 86814102) is N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide is CCC(N)(CC)CNS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide?
The InChIKey is VKEZMEUULCCRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-3-12(13,4-2)11-14-18(16,17)15-9-7-5-6-8-10-15/h14H,3-11,13H2,1-2H3.
What are the key properties of N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide?
N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide is sourced from PubChem (CID 86814102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).