methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate

C5H13NO4S — CID 176960686

IUPACmethyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate
SMILESCOC(=O)NS(O)(O)C(C)C
InChIInChI=1S/C5H13NO4S/c1-4(2)11(8,9)6-5(7)10-3/h4,8-9H,1-3H3,(H,6,7)
InChIKeyGRJKFFMWDZTTNZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.42
Rot. Bonds2

About methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate

methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate (PubChem CID 176960686) has the molecular formula C5H13NO4S and a molecular weight of 183.23 g/mol. Its IUPAC name is methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate.

Molecular Properties

Compound Namemethyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate
PubChem CID176960686
Molecular FormulaC5H13NO4S
Molecular Weight183.23 g/mol
Exact Mass183.06
IUPAC Namemethyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate
SMILESCOC(=O)NS(O)(O)C(C)C
InChIInChI=1S/C5H13NO4S/c1-4(2)11(8,9)6-5(7)10-3/h4,8-9H,1-3H3,(H,6,7)
InChIKeyGRJKFFMWDZTTNZ-UHFFFAOYSA-N
XLogP1.42
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(3-oxobutan-2-ylsulfamoyl)carbamate
CID 114463731
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]methanamine
CID 143361278
tert-butyl N-propan-2-ylsulfonylcarbamate
CID 18686385
methyl N-[2-chloropropyl(methyl)sulfamoyl]carbamate
CID 114466253
sodium propane-2-sulfonic acid
CID 23363435
methyl N-[(1R)-1-phosphanylethyl]carbamate
CID 122592062
methyl propan-2-ylsulfonylformate
CID 117037052
methyl N-(1-fluoroethyl)carbamate
CID 166647333
methyl N-(2-methylpropanoyl)carbamate
CID 59279110
methyl N-(3-methylbutan-2-yl)carbamate
CID 3614647
methyl N-[methoxy(methyl)sulfamoyl]carbamate
CID 114463076

Frequently Asked Questions

What is the IUPAC name of methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate?
The IUPAC name of methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate (CID 176960686) is methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate.
What is the SMILES notation for methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate?
The canonical SMILES for methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate is COC(=O)NS(O)(O)C(C)C.
What is the InChIKey of methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate?
The InChIKey is GRJKFFMWDZTTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S/c1-4(2)11(8,9)6-5(7)10-3/h4,8-9H,1-3H3,(H,6,7).
What are the key properties of methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate?
methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate has a molecular weight of 183.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[dihydroxy(propan-2-yl)-λ4-sulfanyl]carbamate is sourced from PubChem (CID 176960686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).