N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine

C16H27NS — CID 66066786

IUPACN-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
SMILESCCNC(CCC(C)C)CSc1ccc(C)cc1
InChIInChI=1S/C16H27NS/c1-5-17-15(9-6-13(2)3)12-18-16-10-7-14(4)8-11-16/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3
InChIKeyZAKREKBFTGODOI-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.50
Rot. Bonds8

About N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine

N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine (PubChem CID 66066786) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
PubChem CID66066786
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
SMILESCCNC(CCC(C)C)CSc1ccc(C)cc1
InChIInChI=1S/C16H27NS/c1-5-17-15(9-6-13(2)3)12-18-16-10-7-14(4)8-11-16/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3
InChIKeyZAKREKBFTGODOI-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962
6-methyl-1-(4-methylphenyl)sulfanyl-N-propylheptan-2-amine
CID 83160735
1-(4-chlorophenyl)sulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162227
N-ethyl-4-methylidene-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066398
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(4-methylphenyl)sulfanyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103010863
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 79562228
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722
N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine
CID 64621818
1-(4-bromophenyl)sulfanyl-N-ethyl-5,5-dimethylhexan-2-amine
CID 66055914
1-(4-bromophenyl)sulfanyl-N-ethylheptan-2-amine
CID 66054321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine?
The IUPAC name of N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine (CID 66066786) is N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine?
The canonical SMILES for N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine is CCNC(CCC(C)C)CSc1ccc(C)cc1.
What is the InChIKey of N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine?
The InChIKey is ZAKREKBFTGODOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-17-15(9-6-13(2)3)12-18-16-10-7-14(4)8-11-16/h7-8,10-11,13,15,17H,5-6,9,12H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine?
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine is sourced from PubChem (CID 66066786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).