propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate

C6H13N3O6S — CID 114463139

IUPACpropan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NOCC(N)=O
InChIInChI=1S/C6H13N3O6S/c1-4(2)15-6(11)8-16(12,13)9-14-3-5(7)10/h4,9H,3H2,1-2H3,(H2,7,10)(H,8,11)
InChIKeyRTFNAYXEBKUBJB-UHFFFAOYSA-N
MW255.25 g/mol
LogP-1.63
Rot. Bonds6

About propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate

propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate (PubChem CID 114463139) has the molecular formula C6H13N3O6S and a molecular weight of 255.25 g/mol. Its IUPAC name is propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
PubChem CID114463139
Molecular FormulaC6H13N3O6S
Molecular Weight255.25 g/mol
Exact Mass255.05
IUPAC Namepropan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NOCC(N)=O
InChIInChI=1S/C6H13N3O6S/c1-4(2)15-6(11)8-16(12,13)9-14-3-5(7)10/h4,9H,3H2,1-2H3,(H2,7,10)(H,8,11)
InChIKeyRTFNAYXEBKUBJB-UHFFFAOYSA-N
XLogP-1.63
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
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propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
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(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
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propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-[(4-hydroxy-3-methylsulfanylbutan-2-yl)sulfamoyl]carbamate
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propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate (CID 114463139) is propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NOCC(N)=O.
What is the InChIKey of propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate?
The InChIKey is RTFNAYXEBKUBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O6S/c1-4(2)15-6(11)8-16(12,13)9-14-3-5(7)10/h4,9H,3H2,1-2H3,(H2,7,10)(H,8,11).
What are the key properties of propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate?
propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate has a molecular weight of 255.25 g/mol, XLogP of -1.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate is sourced from PubChem (CID 114463139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).