N-but-3-yn-2-ylazepane-1-sulfonamide

C10H18N2O2S — CID 114419133

IUPACN-but-3-yn-2-ylazepane-1-sulfonamide
SMILESC#CC(C)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H18N2O2S/c1-3-10(2)11-15(13,14)12-8-6-4-5-7-9-12/h1,10-11H,4-9H2,2H3
InChIKeyVVEUZXJVTBRCFS-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.72
Rot. Bonds3

About N-but-3-yn-2-ylazepane-1-sulfonamide

N-but-3-yn-2-ylazepane-1-sulfonamide (PubChem CID 114419133) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-but-3-yn-2-ylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-but-3-yn-2-ylazepane-1-sulfonamide
PubChem CID114419133
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-but-3-yn-2-ylazepane-1-sulfonamide
SMILESC#CC(C)NS(=O)(=O)N1CCCCCC1
InChIInChI=1S/C10H18N2O2S/c1-3-10(2)11-15(13,14)12-8-6-4-5-7-9-12/h1,10-11H,4-9H2,2H3
InChIKeyVVEUZXJVTBRCFS-UHFFFAOYSA-N
XLogP0.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
N-methylazepane-1-sulfonamide
CID 28784575
N-methylazocane-1-sulfonamide
CID 130686123
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
N-[1-(4-aminophenyl)ethyl]piperidine-1-sulfonamide
CID 43297932
N-(3-oxopentan-2-yl)azepane-1-sulfonamide
CID 64994212
N-(1-amino-4-methylpentan-3-yl)azepane-1-sulfonamide
CID 106357410
N-(1,3-dihydroxypropan-2-yl)piperidine-1-sulfonamide
CID 65314238
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
4-(1-cyanoethyl)-N-propan-2-ylpiperazine-1-sulfonamide
CID 114807878
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
N-(1-cyanoethyl)morpholine-4-sulfonamide
CID 61123447

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-ylazepane-1-sulfonamide?
The IUPAC name of N-but-3-yn-2-ylazepane-1-sulfonamide (CID 114419133) is N-but-3-yn-2-ylazepane-1-sulfonamide.
What is the SMILES notation for N-but-3-yn-2-ylazepane-1-sulfonamide?
The canonical SMILES for N-but-3-yn-2-ylazepane-1-sulfonamide is C#CC(C)NS(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-but-3-yn-2-ylazepane-1-sulfonamide?
The InChIKey is VVEUZXJVTBRCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-10(2)11-15(13,14)12-8-6-4-5-7-9-12/h1,10-11H,4-9H2,2H3.
What are the key properties of N-but-3-yn-2-ylazepane-1-sulfonamide?
N-but-3-yn-2-ylazepane-1-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-ylazepane-1-sulfonamide is sourced from PubChem (CID 114419133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).