N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide

C11H25N3O2S — CID 61136006

IUPACN-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H25N3O2S/c1-3-11(2,10-12)13-17(15,16)14-8-6-4-5-7-9-14/h13H,3-10,12H2,1-2H3
InChIKeyNBLLVEUKKBGXCW-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds5

About N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide

N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide (PubChem CID 61136006) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
PubChem CID61136006
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
SMILESCCC(C)(CN)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H25N3O2S/c1-3-11(2,10-12)13-17(15,16)14-8-6-4-5-7-9-14/h13H,3-10,12H2,1-2H3
InChIKeyNBLLVEUKKBGXCW-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)azepane-1-sulfonamide
CID 63251227
N-(2-amino-2-ethylbutyl)azepane-1-sulfonamide
CID 86814102
N-[(2S)-1-aminohexan-2-yl]azepane-1-sulfonamide
CID 99628716
N-Butylazepane-1-sulfonamide
CID 71367847
2,4,6,6-Tetramethyl-1,2,7-thiadiazepane 1,1-dioxide
CID 164118650
N-(5-methylhexyl)azepane-1-sulfonamide
CID 167070520
N-(2-aminoethyl)azepane-1-sulfonamide
CID 28783149
N-(3-aminopropyl)-N-methylazepane-1-sulfonamide
CID 28783233
N-[1-(aminomethyl)cyclohexyl]azepane-1-sulfonamide
CID 28940482
N-[1-(aminomethyl)cyclopentyl]azepane-1-sulfonamide
CID 28940520
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]azepane-1-sulfonamide
CID 28940562
N-tert-butylazepane-1-sulfonamide
CID 31065077

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide?
The IUPAC name of N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide (CID 61136006) is N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide is CCC(C)(CN)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide?
The InChIKey is NBLLVEUKKBGXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-11(2,10-12)13-17(15,16)14-8-6-4-5-7-9-14/h13H,3-10,12H2,1-2H3.
What are the key properties of N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide?
N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide is sourced from PubChem (CID 61136006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).