N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide

C10H23N3O2S — CID 70744067

IUPACN-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCCCC(N)C1
InChIInChI=1S/C10H23N3O2S/c1-16(14,15)12-6-4-8-13-7-3-2-5-10(11)9-13/h10,12H,2-9,11H2,1H3
InChIKeyDFZDNCUVBKHXGO-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.26
Rot. Bonds5

About N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide

N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide (PubChem CID 70744067) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide
PubChem CID70744067
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC NameN-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCN1CCCCC(N)C1
InChIInChI=1S/C10H23N3O2S/c1-16(14,15)12-6-4-8-13-7-3-2-5-10(11)9-13/h10,12H,2-9,11H2,1H3
InChIKeyDFZDNCUVBKHXGO-UHFFFAOYSA-N
XLogP-0.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide (CID 70744067) is N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCN1CCCCC(N)C1.
What is the InChIKey of N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide?
The InChIKey is DFZDNCUVBKHXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-16(14,15)12-6-4-8-13-7-3-2-5-10(11)9-13/h10,12H,2-9,11H2,1H3.
What are the key properties of N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide?
N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide has a molecular weight of 249.38 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoazepan-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 70744067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).