N-cyclohexylsulfanyl-2,2-dimethylpropanamide

C11H21NOS — CID 169102891

IUPACN-cyclohexylsulfanyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NSC1CCCCC1
InChIInChI=1S/C11H21NOS/c1-11(2,3)10(13)12-14-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyRJPZYSWYKWLGNN-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.13
Rot. Bonds2

About N-cyclohexylsulfanyl-2,2-dimethylpropanamide

N-cyclohexylsulfanyl-2,2-dimethylpropanamide (PubChem CID 169102891) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-cyclohexylsulfanyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-cyclohexylsulfanyl-2,2-dimethylpropanamide
PubChem CID169102891
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-cyclohexylsulfanyl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NSC1CCCCC1
InChIInChI=1S/C11H21NOS/c1-11(2,3)10(13)12-14-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyRJPZYSWYKWLGNN-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(cyclooctylsulfanylamino)urea
CID 151345414
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
(2S)-1-(cyclohexylsulfanylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 141018502
2-cyclohexylsulfanyl-2-cyclopropylpropanoic acid
CID 114990643
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-2,2-dimethylpropanamide
CID 95292122
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
ethyl N-carbamoyl-N'-(cyclohexylsulfanylcarbamoyl)carbamimidate
CID 173453261
N-(2,2-dimethylpropanoyl)cyclobutanecarboxamide
CID 23273706
1-cyclohexyl-2-methyl-2-(methylamino)propan-1-one
CID 116566298
tert-butylsulfanylcycloundecane
CID 123259854
N-cyclohexylsulfanylethanamine
CID 139477318

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylsulfanyl-2,2-dimethylpropanamide?
The IUPAC name of N-cyclohexylsulfanyl-2,2-dimethylpropanamide (CID 169102891) is N-cyclohexylsulfanyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-cyclohexylsulfanyl-2,2-dimethylpropanamide?
The canonical SMILES for N-cyclohexylsulfanyl-2,2-dimethylpropanamide is CC(C)(C)C(=O)NSC1CCCCC1.
What is the InChIKey of N-cyclohexylsulfanyl-2,2-dimethylpropanamide?
The InChIKey is RJPZYSWYKWLGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-11(2,3)10(13)12-14-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of N-cyclohexylsulfanyl-2,2-dimethylpropanamide?
N-cyclohexylsulfanyl-2,2-dimethylpropanamide has a molecular weight of 215.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfanyl-2,2-dimethylpropanamide is sourced from PubChem (CID 169102891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).