2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine

C15H21Cl2NOS — CID 64735541

IUPAC2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2NOS/c1-9-6-10(2)15(13(7-9)18-3)20(19)14-8-11(16)4-5-12(14)17/h4-5,8-10,13,15,18H,6-7H2,1-3H3
InChIKeySEILCHOZFDQHGD-UHFFFAOYSA-N
MW334.31 g/mol
LogP4.12
Rot. Bonds3

About 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine

2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64735541) has the molecular formula C15H21Cl2NOS and a molecular weight of 334.31 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64735541
Molecular FormulaC15H21Cl2NOS
Molecular Weight334.31 g/mol
Exact Mass333.07
IUPAC Name2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2NOS/c1-9-6-10(2)15(13(7-9)18-3)20(19)14-8-11(16)4-5-12(14)17/h4-5,8-10,13,15,18H,6-7H2,1-3H3
InChIKeySEILCHOZFDQHGD-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine (CID 64735541) is 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1S(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is SEILCHOZFDQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NOS/c1-9-6-10(2)15(13(7-9)18-3)20(19)14-8-11(16)4-5-12(14)17/h4-5,8-10,13,15,18H,6-7H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine?
2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 334.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfinyl-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64735541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).