N-[3-(propan-2-ylamino)propyl]methanesulfonamide

C7H18N2O2S — CID 43606733

IUPACN-[3-(propan-2-ylamino)propyl]methanesulfonamide
SMILESCC(C)NCCCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2)8-5-4-6-9-12(3,10)11/h7-9H,4-6H2,1-3H3
InChIKeyAGCSSBDJOAIQPU-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.08
Rot. Bonds6

About N-[3-(propan-2-ylamino)propyl]methanesulfonamide

N-[3-(propan-2-ylamino)propyl]methanesulfonamide (PubChem CID 43606733) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-[3-(propan-2-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylamino)propyl]methanesulfonamide
PubChem CID43606733
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-[3-(propan-2-ylamino)propyl]methanesulfonamide
SMILESCC(C)NCCCNS(C)(=O)=O
InChIInChI=1S/C7H18N2O2S/c1-7(2)8-5-4-6-9-12(3,10)11/h7-9H,4-6H2,1-3H3
InChIKeyAGCSSBDJOAIQPU-UHFFFAOYSA-N
XLogP-0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(propan-2-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(propan-2-ylamino)propyl]methanesulfonamide (CID 43606733) is N-[3-(propan-2-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(propan-2-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(propan-2-ylamino)propyl]methanesulfonamide is CC(C)NCCCNS(C)(=O)=O.
What is the InChIKey of N-[3-(propan-2-ylamino)propyl]methanesulfonamide?
The InChIKey is AGCSSBDJOAIQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-7(2)8-5-4-6-9-12(3,10)11/h7-9H,4-6H2,1-3H3.
What are the key properties of N-[3-(propan-2-ylamino)propyl]methanesulfonamide?
N-[3-(propan-2-ylamino)propyl]methanesulfonamide has a molecular weight of 194.30 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 43606733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).