2-(methylsulfamoylamino)propane-1,3-diol

C4H12N2O4S — CID 114809585

IUPAC2-(methylsulfamoylamino)propane-1,3-diol
SMILESCNS(=O)(=O)NC(CO)CO
InChIInChI=1S/C4H12N2O4S/c1-5-11(9,10)6-4(2-7)3-8/h4-8H,2-3H2,1H3
InChIKeyAOIOVQVTPZVDGU-UHFFFAOYSA-N
MW184.22 g/mol
LogP-2.61
Rot. Bonds5

About 2-(methylsulfamoylamino)propane-1,3-diol

2-(methylsulfamoylamino)propane-1,3-diol (PubChem CID 114809585) has the molecular formula C4H12N2O4S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-(methylsulfamoylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(methylsulfamoylamino)propane-1,3-diol
PubChem CID114809585
Molecular FormulaC4H12N2O4S
Molecular Weight184.22 g/mol
Exact Mass184.05
IUPAC Name2-(methylsulfamoylamino)propane-1,3-diol
SMILESCNS(=O)(=O)NC(CO)CO
InChIInChI=1S/C4H12N2O4S/c1-5-11(9,10)6-4(2-7)3-8/h4-8H,2-3H2,1H3
InChIKeyAOIOVQVTPZVDGU-UHFFFAOYSA-N
XLogP-2.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-2.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
CID 106181367
(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
CID 104978099
N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 65314172
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
3-(methylsulfamoylamino)butanethioamide
CID 114808266
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79588967
3-methoxy-2-(2-methylpropylsulfamoylamino)propan-1-ol
CID 106184934
N-(methylsulfamoyl)hydroxylamine
CID 117126057
2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763
N'-hydroxy-2-(methylsulfamoylamino)propanimidamide
CID 104978263

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfamoylamino)propane-1,3-diol?
The IUPAC name of 2-(methylsulfamoylamino)propane-1,3-diol (CID 114809585) is 2-(methylsulfamoylamino)propane-1,3-diol.
What is the SMILES notation for 2-(methylsulfamoylamino)propane-1,3-diol?
The canonical SMILES for 2-(methylsulfamoylamino)propane-1,3-diol is CNS(=O)(=O)NC(CO)CO.
What is the InChIKey of 2-(methylsulfamoylamino)propane-1,3-diol?
The InChIKey is AOIOVQVTPZVDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4S/c1-5-11(9,10)6-4(2-7)3-8/h4-8H,2-3H2,1H3.
What are the key properties of 2-(methylsulfamoylamino)propane-1,3-diol?
2-(methylsulfamoylamino)propane-1,3-diol has a molecular weight of 184.22 g/mol, XLogP of -2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfamoylamino)propane-1,3-diol is sourced from PubChem (CID 114809585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).