methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate

C7H16N2O5S2 — CID 106306653

IUPACmethyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NCCSCCCO
InChIInChI=1S/C7H16N2O5S2/c1-14-7(11)9-16(12,13)8-3-6-15-5-2-4-10/h8,10H,2-6H2,1H3,(H,9,11)
InChIKeyGVBKMCUHHSGPFT-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.71
Rot. Bonds8

About methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate

methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate (PubChem CID 106306653) has the molecular formula C7H16N2O5S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
PubChem CID106306653
Molecular FormulaC7H16N2O5S2
Molecular Weight272.35 g/mol
Exact Mass272.05
IUPAC Namemethyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)NCCSCCCO
InChIInChI=1S/C7H16N2O5S2/c1-14-7(11)9-16(12,13)8-3-6-15-5-2-4-10/h8,10H,2-6H2,1H3,(H,9,11)
InChIKeyGVBKMCUHHSGPFT-UHFFFAOYSA-N
XLogP-0.71
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-(4-bromobutylsulfamoyl)carbamate
CID 106846716
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
methyl 4-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]benzoate
CID 103834885
methyl N-(but-3-ynylsulfamoyl)carbamate
CID 114466093
methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
methyl 4-(3-hydroxypropylsulfanyl)butanoate
CID 64981507
methyl N-(2-azidoethylsulfamoyl)carbamate
CID 114466121
N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 103834805
tert-butyl N-[3-[2-(3-hydroxypropylsulfanyl)ethylamino]propyl]carbamate
CID 107094834
3-[2-(2-propylsulfonylethylamino)ethylsulfanyl]propan-1-ol
CID 106310342
methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
CID 114464184

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate?
The IUPAC name of methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate (CID 106306653) is methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate.
What is the SMILES notation for methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate?
The canonical SMILES for methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate is COC(=O)NS(=O)(=O)NCCSCCCO.
What is the InChIKey of methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate?
The InChIKey is GVBKMCUHHSGPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S2/c1-14-7(11)9-16(12,13)8-3-6-15-5-2-4-10/h8,10H,2-6H2,1H3,(H,9,11).
What are the key properties of methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate?
methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate has a molecular weight of 272.35 g/mol, XLogP of -0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]carbamate is sourced from PubChem (CID 106306653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).