propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate

C9H19ClN2O4S — CID 114466894

IUPACpropan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC(Cl)C(C)C
InChIInChI=1S/C9H19ClN2O4S/c1-6(2)8(10)5-11-17(14,15)12-9(13)16-7(3)4/h6-8,11H,5H2,1-4H3,(H,12,13)
InChIKeyRBECXQPGHUJOQD-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.22
Rot. Bonds6

About propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate

propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate (PubChem CID 114466894) has the molecular formula C9H19ClN2O4S and a molecular weight of 286.78 g/mol. Its IUPAC name is propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
PubChem CID114466894
Molecular FormulaC9H19ClN2O4S
Molecular Weight286.78 g/mol
Exact Mass286.08
IUPAC Namepropan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCC(Cl)C(C)C
InChIInChI=1S/C9H19ClN2O4S/c1-6(2)8(10)5-11-17(14,15)12-9(13)16-7(3)4/h6-8,11H,5H2,1-4H3,(H,12,13)
InChIKeyRBECXQPGHUJOQD-UHFFFAOYSA-N
XLogP1.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
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(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
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propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
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propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl N-[[2-(4-aminophenyl)-2-hydroxyethyl]sulfamoyl]carbamate
CID 114461589
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate
CID 106288784
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241
propan-2-yl N-[(1-aminocycloheptyl)methylsulfamoyl]carbamate
CID 114464611
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate?
The IUPAC name of propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate (CID 114466894) is propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate?
The canonical SMILES for propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate is CC(C)OC(=O)NS(=O)(=O)NCC(Cl)C(C)C.
What is the InChIKey of propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate?
The InChIKey is RBECXQPGHUJOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O4S/c1-6(2)8(10)5-11-17(14,15)12-9(13)16-7(3)4/h6-8,11H,5H2,1-4H3,(H,12,13).
What are the key properties of propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate?
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate has a molecular weight of 286.78 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).