methylsulfonyl(propyl)azanide

C4H10NO2S- — CID 59584308

IUPACmethylsulfonyl(propyl)azanide
SMILESCCC[N-]S(C)(=O)=O
InChIInChI=1S/C4H10NO2S/c1-3-4-5-8(2,6)7/h3-4H2,1-2H3/q-1
InChIKeyRVOPJTAINONZEP-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.73
Rot. Bonds3

About methylsulfonyl(propyl)azanide

methylsulfonyl(propyl)azanide (PubChem CID 59584308) has the molecular formula C4H10NO2S- and a molecular weight of 136.20 g/mol. Its IUPAC name is methylsulfonyl(propyl)azanide.

Molecular Properties

Compound Namemethylsulfonyl(propyl)azanide
PubChem CID59584308
Molecular FormulaC4H10NO2S-
Molecular Weight136.20 g/mol
Exact Mass136.04
IUPAC Namemethylsulfonyl(propyl)azanide
SMILESCCC[N-]S(C)(=O)=O
InChIInChI=1S/C4H10NO2S/c1-3-4-5-8(2,6)7/h3-4H2,1-2H3/q-1
InChIKeyRVOPJTAINONZEP-UHFFFAOYSA-N
XLogP0.73
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethylmethanesulphonamide
CID 75411
N-propylmethanesulfonamide
CID 235967
n-Ethyl-n-(methylsulfonyl)methanesulfonamide
CID 263623
Methylsulphonamide, N-ethyl-N-propyl-
CID 62049896
N-fluoro-N-propylmethanesulfonamide
CID 118574431
N-chloro-1-fluoro-N-propylmethanesulfonamide
CID 118574434
N-bromo-1-fluoro-N-propylmethanesulfonamide
CID 118574580
N,1-difluoro-N-propylmethanesulfonamide
CID 118574596
1-fluoro-N-iodo-N-propylmethanesulfonamide
CID 118574597
N-chloro-N-propan-2-ylmethanesulfonamide
CID 312701
N-Butyl-N-(methanesulfonyl)methanesulfonamide
CID 13122204
N-(Methanesulfonyl)-N-propylmethanesulfonamide
CID 13122209

Frequently Asked Questions

What is the IUPAC name of methylsulfonyl(propyl)azanide?
The IUPAC name of methylsulfonyl(propyl)azanide (CID 59584308) is methylsulfonyl(propyl)azanide.
What is the SMILES notation for methylsulfonyl(propyl)azanide?
The canonical SMILES for methylsulfonyl(propyl)azanide is CCC[N-]S(C)(=O)=O.
What is the InChIKey of methylsulfonyl(propyl)azanide?
The InChIKey is RVOPJTAINONZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO2S/c1-3-4-5-8(2,6)7/h3-4H2,1-2H3/q-1.
What are the key properties of methylsulfonyl(propyl)azanide?
methylsulfonyl(propyl)azanide has a molecular weight of 136.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyl(propyl)azanide is sourced from PubChem (CID 59584308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).