methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate

C9H19ClN2O4S — CID 106288784

IUPACmethyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate
SMILESCCC(CC)C(Cl)CNS(=O)(=O)NC(=O)OC
InChIInChI=1S/C9H19ClN2O4S/c1-4-7(5-2)8(10)6-11-17(14,15)12-9(13)16-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyKIRMEAAKLUUIKQ-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.22
Rot. Bonds7

About methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate

methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate (PubChem CID 106288784) has the molecular formula C9H19ClN2O4S and a molecular weight of 286.78 g/mol. Its IUPAC name is methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate
PubChem CID106288784
Molecular FormulaC9H19ClN2O4S
Molecular Weight286.78 g/mol
Exact Mass286.08
IUPAC Namemethyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate
SMILESCCC(CC)C(Cl)CNS(=O)(=O)NC(=O)OC
InChIInChI=1S/C9H19ClN2O4S/c1-4-7(5-2)8(10)6-11-17(14,15)12-9(13)16-3/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyKIRMEAAKLUUIKQ-UHFFFAOYSA-N
XLogP1.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

methyl N-(2,2-dimethoxyethylsulfamoyl)carbamate
CID 114463719
methyl N-(2-aminopropylsulfamoyl)carbamate
CID 114464784
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
ethyl N-[(2-amino-3-ethylpentyl)sulfamoyl]carbamate
CID 106286779
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
3-[(methoxycarbonylsulfamoylamino)methyl]-5-methylhexanoic acid
CID 114462794
ethyl N-[(2-chloro-4-methylpentyl)sulfamoyl]carbamate
CID 107158297
N-(2-chloro-3-ethylpentyl)cyclopropanesulfonamide
CID 106288751
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
methyl 3-(ethoxycarbonylsulfamoylamino)-2-iodopropanoate
CID 103493615
methyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322697
methyl N-[(4-aminocyclohexyl)methylsulfamoyl]carbamate
CID 106126310

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate (CID 106288784) is methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate is CCC(CC)C(Cl)CNS(=O)(=O)NC(=O)OC.
What is the InChIKey of methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate?
The InChIKey is KIRMEAAKLUUIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O4S/c1-4-7(5-2)8(10)6-11-17(14,15)12-9(13)16-3/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate?
methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate has a molecular weight of 286.78 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2-chloro-3-ethylpentyl)sulfamoyl]carbamate is sourced from PubChem (CID 106288784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).