propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate

C8H19N3O4S — CID 114461386

IUPACpropan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
SMILESCC(CN)CNS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H19N3O4S/c1-6(2)15-8(12)11-16(13,14)10-5-7(3)4-9/h6-7,10H,4-5,9H2,1-3H3,(H,11,12)
InChIKeyFVMSAVICLVRNHJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.45
Rot. Bonds6

About propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate

propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate (PubChem CID 114461386) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
PubChem CID114461386
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Namepropan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
SMILESCC(CN)CNS(=O)(=O)NC(=O)OC(C)C
InChIInChI=1S/C8H19N3O4S/c1-6(2)15-8(12)11-16(13,14)10-5-7(3)4-9/h6-7,10H,4-5,9H2,1-3H3,(H,11,12)
InChIKeyFVMSAVICLVRNHJ-UHFFFAOYSA-N
XLogP-0.45
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
ethyl N-[(4-amino-2-methylbutyl)sulfamoyl]carbamate
CID 114467054
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
CID 114461589
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl N-[(2-amino-2-oxoethoxy)sulfamoyl]carbamate
CID 114463139
propan-2-yl N-[[2-(aminomethyl)phenyl]methylsulfamoyl]carbamate
CID 114464725
ethyl N-[[2-methyl-3-(methylamino)propyl]sulfamoyl]carbamate
CID 114465211

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate (CID 114461386) is propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate is CC(CN)CNS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate?
The InChIKey is FVMSAVICLVRNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-6(2)15-8(12)11-16(13,14)10-5-7(3)4-9/h6-7,10H,4-5,9H2,1-3H3,(H,11,12).
What are the key properties of propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate?
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate has a molecular weight of 253.32 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate is sourced from PubChem (CID 114461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).