propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate

C8H19N3O4S — CID 103512534

IUPACpropan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
SMILESCNC(C)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)9-4/h6-7,9-10H,5H2,1-4H3,(H,11,12)
InChIKeyBDVZYBOBEIKSET-UHFFFAOYSA-N
MW253.32 g/mol
LogP-0.44
Rot. Bonds6

About propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate

propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate (PubChem CID 103512534) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
PubChem CID103512534
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Namepropan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
SMILESCNC(C)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)9-4/h6-7,9-10H,5H2,1-4H3,(H,11,12)
InChIKeyBDVZYBOBEIKSET-UHFFFAOYSA-N
XLogP-0.44
TPSA96.53 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 ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
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CID 114463084
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
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propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
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2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate (CID 103512534) is propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate is CNC(C)CNS(=O)(=O)NC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate?
The InChIKey is BDVZYBOBEIKSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-6(2)15-8(12)11-16(13,14)10-5-7(3)9-4/h6-7,9-10H,5H2,1-4H3,(H,11,12).
What are the key properties of propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate?
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate has a molecular weight of 253.32 g/mol, XLogP of -0.44, 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-[2-(methylamino)propylsulfamoyl]carbamate is sourced from PubChem (CID 103512534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).