methyl N-(2-aminopropylsulfamoyl)carbamate

C5H13N3O4S — CID 114464784

IUPACmethyl N-(2-aminopropylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCC(C)N
InChIInChI=1S/C5H13N3O4S/c1-4(6)3-7-13(10,11)8-5(9)12-2/h4,7H,3,6H2,1-2H3,(H,8,9)
InChIKeyKHKKXMMMHQGXIO-UHFFFAOYSA-N
MW211.24 g/mol
LogP-1.48
Rot. Bonds4

About methyl N-(2-aminopropylsulfamoyl)carbamate

methyl N-(2-aminopropylsulfamoyl)carbamate (PubChem CID 114464784) has the molecular formula C5H13N3O4S and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl N-(2-aminopropylsulfamoyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-aminopropylsulfamoyl)carbamate
PubChem CID114464784
Molecular FormulaC5H13N3O4S
Molecular Weight211.24 g/mol
Exact Mass211.06
IUPAC Namemethyl N-(2-aminopropylsulfamoyl)carbamate
SMILESCOC(=O)NS(=O)(=O)NCC(C)N
InChIInChI=1S/C5H13N3O4S/c1-4(6)3-7-13(10,11)8-5(9)12-2/h4,7H,3,6H2,1-2H3,(H,8,9)
InChIKeyKHKKXMMMHQGXIO-UHFFFAOYSA-N
XLogP-1.48
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
3-[(methoxycarbonylsulfamoylamino)methyl]-5-methylhexanoic acid
CID 114462794
methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate
CID 106288784
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate
CID 10518038
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
CID 106126310

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-aminopropylsulfamoyl)carbamate?
The IUPAC name of methyl N-(2-aminopropylsulfamoyl)carbamate (CID 114464784) is methyl N-(2-aminopropylsulfamoyl)carbamate.
What is the SMILES notation for methyl N-(2-aminopropylsulfamoyl)carbamate?
The canonical SMILES for methyl N-(2-aminopropylsulfamoyl)carbamate is COC(=O)NS(=O)(=O)NCC(C)N.
What is the InChIKey of methyl N-(2-aminopropylsulfamoyl)carbamate?
The InChIKey is KHKKXMMMHQGXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O4S/c1-4(6)3-7-13(10,11)8-5(9)12-2/h4,7H,3,6H2,1-2H3,(H,8,9).
What are the key properties of methyl N-(2-aminopropylsulfamoyl)carbamate?
methyl N-(2-aminopropylsulfamoyl)carbamate has a molecular weight of 211.24 g/mol, XLogP of -1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-aminopropylsulfamoyl)carbamate is sourced from PubChem (CID 114464784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).