N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine

C18H29NOS — CID 104754748

IUPACN-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccc(C)c1)C1CCCCC1
InChIInChI=1S/C18H29NOS/c1-3-12-19-18(16-9-5-4-6-10-16)14-21(20)17-11-7-8-15(2)13-17/h7-8,11,13,16,18-19H,3-6,9-10,12,14H2,1-2H3
InChIKeyTVJLIKPYCGNRQM-UHFFFAOYSA-N
MW307.50 g/mol
LogP4.05
Rot. Bonds7

About N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine

N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine (PubChem CID 104754748) has the molecular formula C18H29NOS and a molecular weight of 307.50 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
PubChem CID104754748
Molecular FormulaC18H29NOS
Molecular Weight307.50 g/mol
Exact Mass307.20
IUPAC NameN-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
SMILESCCCNC(CS(=O)c1cccc(C)c1)C1CCCCC1
InChIInChI=1S/C18H29NOS/c1-3-12-19-18(16-9-5-4-6-10-16)14-21(20)17-11-7-8-15(2)13-17/h7-8,11,13,16,18-19H,3-6,9-10,12,14H2,1-2H3
InChIKeyTVJLIKPYCGNRQM-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287
N-[2-(3-bromophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754297
N-[2-(3-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64659173
N-(1-cyclopropyl-2-thiophen-2-ylsulfinylethyl)propan-1-amine
CID 64650951
1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine
CID 104754430
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
N-ethyl-1-(3-methylphenyl)sulfinylpropan-2-amine
CID 64656239
N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724
N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64653330
1-(cyclopropylamino)-3-(3-methylphenyl)sulfinylpropan-2-ol
CID 113318063
N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
CID 104754785
N-[1-cyclooctyl-2-(4-methylphenyl)ethyl]propan-1-amine
CID 65018486

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine (CID 104754748) is N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine is CCCNC(CS(=O)c1cccc(C)c1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine?
The InChIKey is TVJLIKPYCGNRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NOS/c1-3-12-19-18(16-9-5-4-6-10-16)14-21(20)17-11-7-8-15(2)13-17/h7-8,11,13,16,18-19H,3-6,9-10,12,14H2,1-2H3.
What are the key properties of N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine?
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine has a molecular weight of 307.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine is sourced from PubChem (CID 104754748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).