propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate

C9H20N2O5S2 — CID 106157379

IUPACpropan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate
SMILESCSC(CO)C(C)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H20N2O5S2/c1-6(2)16-9(13)11-18(14,15)10-7(3)8(5-12)17-4/h6-8,10,12H,5H2,1-4H3,(H,11,13)
InChIKeyVSDCLUVHYPSBMO-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.07
Rot. Bonds7

About propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate

propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate (PubChem CID 106157379) has the molecular formula C9H20N2O5S2 and a molecular weight of 300.40 g/mol. Its IUPAC name is propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate
PubChem CID106157379
Molecular FormulaC9H20N2O5S2
Molecular Weight300.40 g/mol
Exact Mass300.08
IUPAC Namepropan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate
SMILESCSC(CO)C(C)NS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C9H20N2O5S2/c1-6(2)16-9(13)11-18(14,15)10-7(3)8(5-12)17-4/h6-8,10,12H,5H2,1-4H3,(H,11,13)
InChIKeyVSDCLUVHYPSBMO-UHFFFAOYSA-N
XLogP0.07
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
2-methylsulfanyl-3-(propylsulfamoylamino)butan-1-ol
CID 106157302
1-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)methanesulfonamide
CID 106162657
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropanesulfonamide
CID 103861132
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
CID 114463001
propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
CID 114463139
(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 104929128
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
CID 114462997
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate (CID 106157379) is propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate is CSC(CO)C(C)NS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate?
The InChIKey is VSDCLUVHYPSBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S2/c1-6(2)16-9(13)11-18(14,15)10-7(3)8(5-12)17-4/h6-8,10,12H,5H2,1-4H3,(H,11,13).
What are the key properties of propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate?
propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate is sourced from PubChem (CID 106157379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).