1-hydroxy-2-methyl-3-(sulfamoylamino)propane

C4H12N2O3S — CID 112689052

IUPAC1-hydroxy-2-methyl-3-(sulfamoylamino)propane
SMILESCC(CO)CNS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-4(3-7)2-6-10(5,8)9/h4,6-7H,2-3H2,1H3,(H2,5,8,9)
InChIKeyHNJOSQWJZKBPRJ-UHFFFAOYSA-N
MW168.22 g/mol
LogP-1.59
Rot. Bonds4

About 1-hydroxy-2-methyl-3-(sulfamoylamino)propane

1-hydroxy-2-methyl-3-(sulfamoylamino)propane (PubChem CID 112689052) has the molecular formula C4H12N2O3S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-hydroxy-2-methyl-3-(sulfamoylamino)propane.

Molecular Properties

Compound Name1-hydroxy-2-methyl-3-(sulfamoylamino)propane
PubChem CID112689052
Molecular FormulaC4H12N2O3S
Molecular Weight168.22 g/mol
Exact Mass168.06
IUPAC Name1-hydroxy-2-methyl-3-(sulfamoylamino)propane
SMILESCC(CO)CNS(N)(=O)=O
InChIInChI=1S/C4H12N2O3S/c1-4(3-7)2-6-10(5,8)9/h4,6-7H,2-3H2,1H3,(H2,5,8,9)
InChIKeyHNJOSQWJZKBPRJ-UHFFFAOYSA-N
XLogP-1.59
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815684
2-amino-1-hydroxy-3-(sulfamoylamino)propane
CID 117275890
4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036872
(2S)-1-hydroxy-3-methyl-2-(sulfamoylamino)butane
CID 103736172
1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
CID 65037107
methyl 2-amino-3-(sulfamoylamino)propanoate
CID 117275888
6-amino-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65036692
N-(3-hydroxy-2-methylpropyl)-2-phenylpropane-1-sulfonamide
CID 80686189
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
1-hydroxy-2-methyl-3-(sulfamoylamino)butane
CID 115643202
3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
CID 88540594
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-methyl-3-(sulfamoylamino)propane?
The IUPAC name of 1-hydroxy-2-methyl-3-(sulfamoylamino)propane (CID 112689052) is 1-hydroxy-2-methyl-3-(sulfamoylamino)propane.
What is the SMILES notation for 1-hydroxy-2-methyl-3-(sulfamoylamino)propane?
The canonical SMILES for 1-hydroxy-2-methyl-3-(sulfamoylamino)propane is CC(CO)CNS(N)(=O)=O.
What is the InChIKey of 1-hydroxy-2-methyl-3-(sulfamoylamino)propane?
The InChIKey is HNJOSQWJZKBPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3S/c1-4(3-7)2-6-10(5,8)9/h4,6-7H,2-3H2,1H3,(H2,5,8,9).
What are the key properties of 1-hydroxy-2-methyl-3-(sulfamoylamino)propane?
1-hydroxy-2-methyl-3-(sulfamoylamino)propane has a molecular weight of 168.22 g/mol, XLogP of -1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methyl-3-(sulfamoylamino)propane is sourced from PubChem (CID 112689052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).