N-[3-(prop-2-ynylamino)propyl]methanesulfonamide

C7H14N2O2S — CID 103825950

IUPACN-[3-(prop-2-ynylamino)propyl]methanesulfonamide
SMILESC#CCNCCCNS(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-3-5-8-6-4-7-9-12(2,10)11/h1,8-9H,4-7H2,2H3
InChIKeyKRHKOKHERVJGKO-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.85
Rot. Bonds6

About N-[3-(prop-2-ynylamino)propyl]methanesulfonamide

N-[3-(prop-2-ynylamino)propyl]methanesulfonamide (PubChem CID 103825950) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-[3-(prop-2-ynylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(prop-2-ynylamino)propyl]methanesulfonamide
PubChem CID103825950
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-[3-(prop-2-ynylamino)propyl]methanesulfonamide
SMILESC#CCNCCCNS(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-3-5-8-6-4-7-9-12(2,10)11/h1,8-9H,4-7H2,2H3
InChIKeyKRHKOKHERVJGKO-UHFFFAOYSA-N
XLogP-0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(prop-2-ynylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(prop-2-ynylamino)propyl]methanesulfonamide (CID 103825950) is N-[3-(prop-2-ynylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(prop-2-ynylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(prop-2-ynylamino)propyl]methanesulfonamide is C#CCNCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(prop-2-ynylamino)propyl]methanesulfonamide?
The InChIKey is KRHKOKHERVJGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-3-5-8-6-4-7-9-12(2,10)11/h1,8-9H,4-7H2,2H3.
What are the key properties of N-[3-(prop-2-ynylamino)propyl]methanesulfonamide?
N-[3-(prop-2-ynylamino)propyl]methanesulfonamide has a molecular weight of 190.27 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(prop-2-ynylamino)propyl]methanesulfonamide is sourced from PubChem (CID 103825950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).