3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine

C5H15N3O3S — CID 106181367

IUPAC3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
SMILESCNS(=O)(=O)NC(CN)COC
InChIInChI=1S/C5H15N3O3S/c1-7-12(9,10)8-5(3-6)4-11-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyYQMXXDHVMSEAOW-UHFFFAOYSA-N
MW197.26 g/mol
LogP-1.99
Rot. Bonds6

About 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine

3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine (PubChem CID 106181367) has the molecular formula C5H15N3O3S and a molecular weight of 197.26 g/mol. Its IUPAC name is 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
PubChem CID106181367
Molecular FormulaC5H15N3O3S
Molecular Weight197.26 g/mol
Exact Mass197.08
IUPAC Name3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
SMILESCNS(=O)(=O)NC(CN)COC
InChIInChI=1S/C5H15N3O3S/c1-7-12(9,10)8-5(3-6)4-11-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyYQMXXDHVMSEAOW-UHFFFAOYSA-N
XLogP-1.99
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 106181408
4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine
CID 106153951
3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine
CID 106153953
2-(methylsulfamoylamino)propane-1,3-diol
CID 114809585
N-(1-amino-3-methoxypropan-2-yl)-1H-imidazole-5-sulfonamide
CID 106181220
N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylacetamide
CID 106180213
3-methoxy-2-(2-methylpropylsulfamoylamino)propan-1-ol
CID 106184934
methyl N-[(1-chloro-3-methoxypropan-2-yl)sulfamoyl]carbamate
CID 106185569
2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181066
methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
CID 106158321
N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 119983116
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine (CID 106181367) is 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine is CNS(=O)(=O)NC(CN)COC.
What is the InChIKey of 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine?
The InChIKey is YQMXXDHVMSEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3O3S/c1-7-12(9,10)8-5(3-6)4-11-2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine?
3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine has a molecular weight of 197.26 g/mol, XLogP of -1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine is sourced from PubChem (CID 106181367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).