N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine

C14H23NOS — CID 64704016

IUPACN-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)c1ccccc1C
InChIInChI=1S/C14H23NOS/c1-5-15-12(3)10-13(4)17(16)14-9-7-6-8-11(14)2/h6-9,12-13,15H,5,10H2,1-4H3
InChIKeyIEDWZDNNSMKDAF-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.88
Rot. Bonds6

About N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine

N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine (PubChem CID 64704016) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
PubChem CID64704016
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)c1ccccc1C
InChIInChI=1S/C14H23NOS/c1-5-15-12(3)10-13(4)17(16)14-9-7-6-8-11(14)2/h6-9,12-13,15H,5,10H2,1-4H3
InChIKeyIEDWZDNNSMKDAF-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64656582
N-ethyl-4-ethylsulfinylpentan-2-amine
CID 64704614
2-(2-methylphenyl)sulfinylbutan-1-amine
CID 81329169
N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine
CID 107760649
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfinyl)-N-ethylpentan-2-amine
CID 115479146
2-(2-methylphenyl)sulfinylpentan-3-amine
CID 64655971
N-ethyl-1-(2-methoxyphenyl)sulfinylpropan-2-amine
CID 64658239
N-ethyl-1-(2-methylphenyl)propan-2-amine
CID 14025646
(2S)-N-ethyl-4,4-diphenylbutan-2-amine
CID 92981582
3-(2-methylphenyl)sulfinyl-N-propylheptan-4-amine
CID 64655566
N-ethyl-4,4-diphenylbutan-2-amine;hydrochloride
CID 117066854
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine?
The IUPAC name of N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine (CID 64704016) is N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine is CCNC(C)CC(C)S(=O)c1ccccc1C.
What is the InChIKey of N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine?
The InChIKey is IEDWZDNNSMKDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-5-15-12(3)10-13(4)17(16)14-9-7-6-8-11(14)2/h6-9,12-13,15H,5,10H2,1-4H3.
What are the key properties of N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine?
N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylphenyl)sulfinylpentan-2-amine is sourced from PubChem (CID 64704016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).