N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine

C14H23NS — CID 64621818

IUPACN-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine
SMILESCCNC(C)CCCSc1ccc(C)cc1
InChIInChI=1S/C14H23NS/c1-4-15-13(3)6-5-11-16-14-9-7-12(2)8-10-14/h7-10,13,15H,4-6,11H2,1-3H3
InChIKeyWDROKQUQVRCVRT-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.87
Rot. Bonds7

About N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine

N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine (PubChem CID 64621818) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine
PubChem CID64621818
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine
SMILESCCNC(C)CCCSc1ccc(C)cc1
InChIInChI=1S/C14H23NS/c1-4-15-13(3)6-5-11-16-14-9-7-12(2)8-10-14/h7-10,13,15H,4-6,11H2,1-3H3
InChIKeyWDROKQUQVRCVRT-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-(3-methylphenyl)sulfanylpentan-2-amine
CID 64628101
5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560
1-butylsulfanyl-4-methylbenzene;ethane
CID 145281456
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-ethylhexan-2-amine
CID 115479339
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylhexan-2-amine
CID 64634490
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
N-ethyl-4-methyl-6-phenylsulfanylhexan-2-amine
CID 79224233
1-methyl-4-[3-(4-methylphenyl)butylsulfanyl]benzene
CID 146617256
4-(4-methylphenyl)sulfanylbutan-2-ol
CID 10352661
5-(4-nitrophenyl)sulfanyl-N-propylpentan-2-amine
CID 64611747
N-ethyl-6-(1-methylpyrazol-4-yl)sulfanylhexan-2-amine
CID 64627801
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine?
The IUPAC name of N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine (CID 64621818) is N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine.
What is the SMILES notation for N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine?
The canonical SMILES for N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine is CCNC(C)CCCSc1ccc(C)cc1.
What is the InChIKey of N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine?
The InChIKey is WDROKQUQVRCVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-15-13(3)6-5-11-16-14-9-7-12(2)8-10-14/h7-10,13,15H,4-6,11H2,1-3H3.
What are the key properties of N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine?
N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine is sourced from PubChem (CID 64621818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).