azane;2-methylsulfonylethylcarbamic acid

C4H12N2O4S — CID 174924120

IUPACazane;2-methylsulfonylethylcarbamic acid
SMILESCS(=O)(=O)CCNC(=O)O.N
InChIInChI=1S/C4H9NO4S.H3N/c1-10(8,9)3-2-5-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H3
InChIKeyGEPQVILBHNVQQD-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.54
Rot. Bonds3

About azane;2-methylsulfonylethylcarbamic acid

azane;2-methylsulfonylethylcarbamic acid (PubChem CID 174924120) has the molecular formula C4H12N2O4S and a molecular weight of 184.22 g/mol. Its IUPAC name is azane;2-methylsulfonylethylcarbamic acid.

Molecular Properties

Compound Nameazane;2-methylsulfonylethylcarbamic acid
PubChem CID174924120
Molecular FormulaC4H12N2O4S
Molecular Weight184.22 g/mol
Exact Mass184.05
IUPAC Nameazane;2-methylsulfonylethylcarbamic acid
SMILESCS(=O)(=O)CCNC(=O)O.N
InChIInChI=1S/C4H9NO4S.H3N/c1-10(8,9)3-2-5-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H3
InChIKeyGEPQVILBHNVQQD-UHFFFAOYSA-N
XLogP-0.54
TPSA118.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze azane;2-methylsulfonylethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfonylethyl carbamate;2-methylsulfonylethylcarbamic acid
CID 175788677
2-(carboxyamino)ethanesulfonic acid
CID 22476560
2-tert-butylsulfonylethylcarbamic acid
CID 87536259
3-methyl-N-(2-methylsulfonylethyl)-2-sulfanylbutanamide
CID 107023632
N-(2-methylsulfonylethyl)cyclopropanecarboxamide
CID 61066556
4-(2-methylsulfonylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784503
3-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)propanoic acid
CID 61206300
4-hydroxy-N-(2-methylsulfonylethyl)butanamide
CID 79192327
4-hydroxy-N-(2-methylsulfonylethyl)pentanamide
CID 79192328
2-chloro-N-(3-methylsulfonylpropyl)acetamide
CID 61019975
[3-(methanesulfonamido)-3-oxopropyl]carbamic acid
CID 87207145
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279

Frequently Asked Questions

What is the IUPAC name of azane;2-methylsulfonylethylcarbamic acid?
The IUPAC name of azane;2-methylsulfonylethylcarbamic acid (CID 174924120) is azane;2-methylsulfonylethylcarbamic acid.
What is the SMILES notation for azane;2-methylsulfonylethylcarbamic acid?
The canonical SMILES for azane;2-methylsulfonylethylcarbamic acid is CS(=O)(=O)CCNC(=O)O.N.
What is the InChIKey of azane;2-methylsulfonylethylcarbamic acid?
The InChIKey is GEPQVILBHNVQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4S.H3N/c1-10(8,9)3-2-5-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H3.
What are the key properties of azane;2-methylsulfonylethylcarbamic acid?
azane;2-methylsulfonylethylcarbamic acid has a molecular weight of 184.22 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylsulfonylethylcarbamic acid is sourced from PubChem (CID 174924120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).