N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide

C12H25NOS — CID 21439262

IUPACN-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide
SMILESCCNS(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C12H25NOS/c1-5-13-15(14)12-8-10(4)6-7-11(12)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeySDGADEXJQBZHFV-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.72
Rot. Bonds4

About N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide

N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide (PubChem CID 21439262) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide
PubChem CID21439262
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide
SMILESCCNS(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C12H25NOS/c1-5-13-15(14)12-8-10(4)6-7-11(12)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeySDGADEXJQBZHFV-UHFFFAOYSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (S)-ethanesulfinate
CID 178184208
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651423
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
N-(5-methyl-2-propan-2-ylcyclohexyl)propane-1-sulfonamide
CID 61383803

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide?
The IUPAC name of N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide (CID 21439262) is N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide.
What is the SMILES notation for N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide?
The canonical SMILES for N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide is CCNS(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide?
The InChIKey is SDGADEXJQBZHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-5-13-15(14)12-8-10(4)6-7-11(12)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide?
N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide has a molecular weight of 231.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide is sourced from PubChem (CID 21439262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).