N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine

C12H19NS — CID 155376244

IUPACN-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine
SMILESCCN(C)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C12H19NS/c1-5-13(4)14-12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3
InChIKeyHAWJYDZZIGJZGF-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.77
Rot. Bonds4

About N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine

N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine (PubChem CID 155376244) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine
PubChem CID155376244
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine
SMILESCCN(C)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C12H19NS/c1-5-13(4)14-12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3
InChIKeyHAWJYDZZIGJZGF-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine 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

2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol
CID 117034672
N'-ethyl-N'-[1-(4-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 114231042
N,N,N'-trimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 22692516
6-(4-propan-2-ylphenyl)sulfanylhexan-3-one
CID 106802206
N-methyl-N-(4-pentan-2-ylphenyl)sulfanyl-2-pyrrolidin-1-ylethanamine
CID 143457133
2-ethyl-N,N-dimethyl-1-(4-propan-2-ylphenyl)propane-1,3-diamine
CID 116913308
N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 61386045
1-(4-methylpentylsulfanyl)-4-propan-2-ylbenzene
CID 22891048
(4-propan-2-ylphenyl)phosphane
CID 59263013
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696
2-methyl-3-(4-propan-2-ylphenyl)sulfanylpropan-1-amine
CID 43530351
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine?
The IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine (CID 155376244) is N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine.
What is the SMILES notation for N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine?
The canonical SMILES for N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine is CCN(C)Sc1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine?
The InChIKey is HAWJYDZZIGJZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-5-13(4)14-12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3.
What are the key properties of N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine?
N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propan-2-ylphenyl)sulfanylethanamine is sourced from PubChem (CID 155376244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).