N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide

C10H21NOS — CID 54210869

IUPACN-ethyl-2,5-dimethylcyclohexane-1-sulfinamide
SMILESCCNS(=O)C1CC(C)CCC1C
InChIInChI=1S/C10H21NOS/c1-4-11-13(12)10-7-8(2)5-6-9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyPVVZWHFRDFZMDZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.08
Rot. Bonds3

About N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide

N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide (PubChem CID 54210869) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide.

Molecular Properties

Compound NameN-ethyl-2,5-dimethylcyclohexane-1-sulfinamide
PubChem CID54210869
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-ethyl-2,5-dimethylcyclohexane-1-sulfinamide
SMILESCCNS(=O)C1CC(C)CCC1C
InChIInChI=1S/C10H21NOS/c1-4-11-13(12)10-7-8(2)5-6-9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyPVVZWHFRDFZMDZ-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide?
The IUPAC name of N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide (CID 54210869) is N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide.
What is the SMILES notation for N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide?
The canonical SMILES for N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide is CCNS(=O)C1CC(C)CCC1C.
What is the InChIKey of N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide?
The InChIKey is PVVZWHFRDFZMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-4-11-13(12)10-7-8(2)5-6-9(10)3/h8-11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide?
N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide has a molecular weight of 203.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-dimethylcyclohexane-1-sulfinamide is sourced from PubChem (CID 54210869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).