N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride

C9H16ClNOS — CID 140977814

IUPACN-cyclohexyl-N-ethylsulfanylcarbamoyl chloride
SMILESCCSN(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C9H16ClNOS/c1-2-13-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyPZDJKFAZIVRIPV-UHFFFAOYSA-N
MW221.75 g/mol
LogP3.65
Rot. Bonds3

About N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride

N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride (PubChem CID 140977814) has the molecular formula C9H16ClNOS and a molecular weight of 221.75 g/mol. Its IUPAC name is N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride.

Molecular Properties

Compound NameN-cyclohexyl-N-ethylsulfanylcarbamoyl chloride
PubChem CID140977814
Molecular FormulaC9H16ClNOS
Molecular Weight221.75 g/mol
Exact Mass221.06
IUPAC NameN-cyclohexyl-N-ethylsulfanylcarbamoyl chloride
SMILESCCSN(C(=O)Cl)C1CCCCC1
InChIInChI=1S/C9H16ClNOS/c1-2-13-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChIKeyPZDJKFAZIVRIPV-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.75
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
N-cyclohexyl-N-(methylamino)carbamoyl chloride
CID 59986884
chloromethyl N-cyclohexyl-N-ethylcarbamate
CID 66648792
carbonochloridoyl(cyclohexyl)carbamic acid
CID 88834306
2,2-dichloro-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 78838416
N-cyclohexyl-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 78833407
ethyl N-cyclohexyl-N-[cyclohexyl(ethoxycarbonyl)carbamoyl]carbamate
CID 152645374
[cyclohexyl(ethyl)amino]sulfanylmethanethiol
CID 130247158
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
N-cyclopentyl-N-propanoylpropanamide
CID 89181027
2-chloro-N-cyclohexyl-N-methylbutanamide
CID 121204557

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride?
The IUPAC name of N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride (CID 140977814) is N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride.
What is the SMILES notation for N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride?
The canonical SMILES for N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride is CCSN(C(=O)Cl)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride?
The InChIKey is PZDJKFAZIVRIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNOS/c1-2-13-11(9(10)12)8-6-4-3-5-7-8/h8H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride?
N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride has a molecular weight of 221.75 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethylsulfanylcarbamoyl chloride is sourced from PubChem (CID 140977814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).