N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine

C17H27NOS — CID 64656639

IUPACN,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)c1cccc(C)c1
InChIInChI=1S/C17H27NOS/c1-4-14-9-10-16(18-5-2)17(12-14)20(19)15-8-6-7-13(3)11-15/h6-8,11,14,16-18H,4-5,9-10,12H2,1-3H3
InChIKeyPQZIRVJUKSRCHF-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.66
Rot. Bonds5

About N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine

N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine (PubChem CID 64656639) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
PubChem CID64656639
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)c1cccc(C)c1
InChIInChI=1S/C17H27NOS/c1-4-14-9-10-16(18-5-2)17(12-14)20(19)15-8-6-7-13(3)11-15/h6-8,11,14,16-18H,4-5,9-10,12H2,1-3H3
InChIKeyPQZIRVJUKSRCHF-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873
[4-ethyl-2-(3-methylphenyl)sulfinylcyclohexyl]methanamine
CID 81333024
2-(3-chlorophenyl)sulfinyl-N-ethylcyclopentan-1-amine
CID 64659353
4-ethyl-2-(4-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657308
N,4-diethyl-2-[(3-methylphenyl)methylsulfanyl]cyclohexan-1-amine
CID 64634179
N-ethyl-2-[(3-methylphenyl)methylsulfinyl]cyclohexan-1-amine
CID 64658404
3-(3-chlorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64904089
N-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]-N,3-dimethylaniline
CID 63494608
4-ethyl-N-methyl-2-(2-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656382
N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651216
2-(2-bromophenyl)sulfinyl-4-ethyl-N-propylcyclohexan-1-amine
CID 64651402

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine (CID 64656639) is N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine is CCNC1CCC(CC)CC1S(=O)c1cccc(C)c1.
What is the InChIKey of N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine?
The InChIKey is PQZIRVJUKSRCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-4-14-9-10-16(18-5-2)17(12-14)20(19)15-8-6-7-13(3)11-15/h6-8,11,14,16-18H,4-5,9-10,12H2,1-3H3.
What are the key properties of N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine?
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine is sourced from PubChem (CID 64656639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).