N-(2-cyanopropan-2-yl)azepane-1-sulfonamide

C10H19N3O2S — CID 61125739

IUPACN-(2-cyanopropan-2-yl)azepane-1-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H19N3O2S/c1-10(2,9-11)12-16(14,15)13-7-5-3-4-6-8-13/h12H,3-8H2,1-2H3
InChIKeySRTSWUUDVCNHOS-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.00
Rot. Bonds3

About N-(2-cyanopropan-2-yl)azepane-1-sulfonamide

N-(2-cyanopropan-2-yl)azepane-1-sulfonamide (PubChem CID 61125739) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2-cyanopropan-2-yl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropan-2-yl)azepane-1-sulfonamide
PubChem CID61125739
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(2-cyanopropan-2-yl)azepane-1-sulfonamide
SMILESCC(C)(C#N)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H19N3O2S/c1-10(2,9-11)12-16(14,15)13-7-5-3-4-6-8-13/h12H,3-8H2,1-2H3
InChIKeySRTSWUUDVCNHOS-UHFFFAOYSA-N
XLogP1.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methylazepane-1-sulfonamide
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2-methyl-2-(piperidin-1-ylsulfonylamino)propanoic acid
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N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]piperidine-1-sulfonamide
CID 107848008
N-(1-amino-2-methylbutan-2-yl)azepane-1-sulfonamide
CID 61136006
N-(1-amino-2,3-dimethylbutan-2-yl)pyrrolidine-1-sulfonamide
CID 115310584
N-(2-cyanopropan-2-yl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110615020
N-ethylazepane-1-sulfonamide
CID 43213421
N-(2-bromo-4,4-dimethylpentyl)azepane-1-sulfonamide
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N-(3-cyanopropyl)azepane-1-sulfonamide
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CID 114419133

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropan-2-yl)azepane-1-sulfonamide?
The IUPAC name of N-(2-cyanopropan-2-yl)azepane-1-sulfonamide (CID 61125739) is N-(2-cyanopropan-2-yl)azepane-1-sulfonamide.
What is the SMILES notation for N-(2-cyanopropan-2-yl)azepane-1-sulfonamide?
The canonical SMILES for N-(2-cyanopropan-2-yl)azepane-1-sulfonamide is CC(C)(C#N)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-(2-cyanopropan-2-yl)azepane-1-sulfonamide?
The InChIKey is SRTSWUUDVCNHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10(2,9-11)12-16(14,15)13-7-5-3-4-6-8-13/h12H,3-8H2,1-2H3.
What are the key properties of N-(2-cyanopropan-2-yl)azepane-1-sulfonamide?
N-(2-cyanopropan-2-yl)azepane-1-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropan-2-yl)azepane-1-sulfonamide is sourced from PubChem (CID 61125739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).