N-ethyl-N-methylsulfanyl-1-phenylethanamine

C11H17NS — CID 123514659

IUPACN-ethyl-N-methylsulfanyl-1-phenylethanamine
SMILESCCN(SC)C(C)c1ccccc1
InChIInChI=1S/C11H17NS/c1-4-12(13-3)10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyKXTUDBBYFXTYGR-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.35
Rot. Bonds4

About N-ethyl-N-methylsulfanyl-1-phenylethanamine

N-ethyl-N-methylsulfanyl-1-phenylethanamine (PubChem CID 123514659) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N-ethyl-N-methylsulfanyl-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-N-methylsulfanyl-1-phenylethanamine
PubChem CID123514659
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN-ethyl-N-methylsulfanyl-1-phenylethanamine
SMILESCCN(SC)C(C)c1ccccc1
InChIInChI=1S/C11H17NS/c1-4-12(13-3)10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
InChIKeyKXTUDBBYFXTYGR-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-methylsulfanyl-1-phenylethanamine 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,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
CID 22215677
(1S)-N,N-dimethyl-1-phenylethanamine;hydrochloride
CID 141121906
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
pentan-2-ylbenzene
CID 17627
(1R)-N-methanidyl-N-methyl-1-phenylethanamine
CID 59297896
N-[(1S)-1-phenylethyl]-N-[(N-[(1S)-1-phenylethyl]anilino)disulfanyl]aniline
CID 59444440
(1S)-N,N-bis(diphenylphosphanyl)-1-phenylethanamine
CID 11225572
N-hydroxy-N-(1-phenylethyl)propanamide
CID 73083140

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methylsulfanyl-1-phenylethanamine?
The IUPAC name of N-ethyl-N-methylsulfanyl-1-phenylethanamine (CID 123514659) is N-ethyl-N-methylsulfanyl-1-phenylethanamine.
What is the SMILES notation for N-ethyl-N-methylsulfanyl-1-phenylethanamine?
The canonical SMILES for N-ethyl-N-methylsulfanyl-1-phenylethanamine is CCN(SC)C(C)c1ccccc1.
What is the InChIKey of N-ethyl-N-methylsulfanyl-1-phenylethanamine?
The InChIKey is KXTUDBBYFXTYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-12(13-3)10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3.
What are the key properties of N-ethyl-N-methylsulfanyl-1-phenylethanamine?
N-ethyl-N-methylsulfanyl-1-phenylethanamine has a molecular weight of 195.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methylsulfanyl-1-phenylethanamine is sourced from PubChem (CID 123514659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).