N-[2-(methylamino)propyl]propane-1-sulfonamide

C7H18N2O2S — CID 103512489

IUPACN-[2-(methylamino)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)NC
InChIInChI=1S/C7H18N2O2S/c1-4-5-12(10,11)9-6-7(2)8-3/h7-9H,4-6H2,1-3H3
InChIKeyJRQAXZDIUKIAKM-UHFFFAOYSA-N
MW194.30 g/mol
LogP-0.08
Rot. Bonds6

About N-[2-(methylamino)propyl]propane-1-sulfonamide

N-[2-(methylamino)propyl]propane-1-sulfonamide (PubChem CID 103512489) has the molecular formula C7H18N2O2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]propane-1-sulfonamide
PubChem CID103512489
Molecular FormulaC7H18N2O2S
Molecular Weight194.30 g/mol
Exact Mass194.11
IUPAC NameN-[2-(methylamino)propyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC(C)NC
InChIInChI=1S/C7H18N2O2S/c1-4-5-12(10,11)9-6-7(2)8-3/h7-9H,4-6H2,1-3H3
InChIKeyJRQAXZDIUKIAKM-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

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Related Compounds

3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
N-methyl-4-propylsulfonylpentan-2-amine
CID 64703585
1-(dimethylsulfamoylamino)-2-(methylamino)propane
CID 103512554
1-N-(cyclopropylsulfamoyl)-2-N-methylpropane-1,2-diamine
CID 103512559
N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
CID 95633247
N-(4-chloro-2-methylbutyl)propane-1-sulfonamide
CID 66089022
N-[2-[(1,1-dioxothian-4-yl)amino]propyl]propane-1-sulfonamide
CID 131900362
N,4-dimethyl-6-propylsulfonylhexan-2-amine
CID 106732347
N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
N-(2-methylpropyl)hexadecane-1-sulfonamide
CID 22976871
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824821

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(methylamino)propyl]propane-1-sulfonamide (CID 103512489) is N-[2-(methylamino)propyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(methylamino)propyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(methylamino)propyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC(C)NC.
What is the InChIKey of N-[2-(methylamino)propyl]propane-1-sulfonamide?
The InChIKey is JRQAXZDIUKIAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2S/c1-4-5-12(10,11)9-6-7(2)8-3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-[2-(methylamino)propyl]propane-1-sulfonamide?
N-[2-(methylamino)propyl]propane-1-sulfonamide 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-[2-(methylamino)propyl]propane-1-sulfonamide is sourced from PubChem (CID 103512489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).