methane;N-[3-(methylamino)propyl]methanesulfonamide

C6H18N2O2S — CID 157130304

IUPACmethane;N-[3-(methylamino)propyl]methanesulfonamide
SMILESC.CNCCCNS(C)(=O)=O
InChIInChI=1S/C5H14N2O2S.CH4/c1-6-4-3-5-7-10(2,8)9;/h6-7H,3-5H2,1-2H3;1H4
InChIKeyAIZJVEOIMNPBDT-UHFFFAOYSA-N
MW182.29 g/mol
LogP-0.22
Rot. Bonds5

About methane;N-[3-(methylamino)propyl]methanesulfonamide

methane;N-[3-(methylamino)propyl]methanesulfonamide (PubChem CID 157130304) has the molecular formula C6H18N2O2S and a molecular weight of 182.29 g/mol. Its IUPAC name is methane;N-[3-(methylamino)propyl]methanesulfonamide.

Molecular Properties

Compound Namemethane;N-[3-(methylamino)propyl]methanesulfonamide
PubChem CID157130304
Molecular FormulaC6H18N2O2S
Molecular Weight182.29 g/mol
Exact Mass182.11
IUPAC Namemethane;N-[3-(methylamino)propyl]methanesulfonamide
SMILESC.CNCCCNS(C)(=O)=O
InChIInChI=1S/C5H14N2O2S.CH4/c1-6-4-3-5-7-10(2,8)9;/h6-7H,3-5H2,1-2H3;1H4
InChIKeyAIZJVEOIMNPBDT-UHFFFAOYSA-N
XLogP-0.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 5-0.22
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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Related Compounds

N-(3-aminopropyl)methanesulfonamide
CID 18350602
N-(5-methylhexyl)methanesulfonamide
CID 58970685
N-[3-(pentylamino)propyl]methanesulfonamide
CID 106333021
3-(methanesulfonamido)propylthiourea
CID 106335651
N-(5-chloropentyl)methanesulfonamide
CID 107322792
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(4,4-dimethylpentyl)methanesulfonamide
CID 20776366
N-(5-iodopentyl)methanesulfonamide
CID 107322901
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
1-amino-N-[3-(methanesulfonamido)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290733
N-[3-(methanesulfonamido)propyl]-2-sulfanylacetamide
CID 106340083
N-[3-(4,4,4-trifluorobutylamino)propyl]methanesulfonamide
CID 106336415

Frequently Asked Questions

What is the IUPAC name of methane;N-[3-(methylamino)propyl]methanesulfonamide?
The IUPAC name of methane;N-[3-(methylamino)propyl]methanesulfonamide (CID 157130304) is methane;N-[3-(methylamino)propyl]methanesulfonamide.
What is the SMILES notation for methane;N-[3-(methylamino)propyl]methanesulfonamide?
The canonical SMILES for methane;N-[3-(methylamino)propyl]methanesulfonamide is C.CNCCCNS(C)(=O)=O.
What is the InChIKey of methane;N-[3-(methylamino)propyl]methanesulfonamide?
The InChIKey is AIZJVEOIMNPBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S.CH4/c1-6-4-3-5-7-10(2,8)9;/h6-7H,3-5H2,1-2H3;1H4.
What are the key properties of methane;N-[3-(methylamino)propyl]methanesulfonamide?
methane;N-[3-(methylamino)propyl]methanesulfonamide has a molecular weight of 182.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[3-(methylamino)propyl]methanesulfonamide is sourced from PubChem (CID 157130304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).