2-methyl-N-(1-phenylpropyl)thian-3-amine

C15H23NS — CID 79957680

IUPAC2-methyl-N-(1-phenylpropyl)thian-3-amine
SMILESCCC(NC1CCCSC1C)c1ccccc1
InChIInChI=1S/C15H23NS/c1-3-14(13-8-5-4-6-9-13)16-15-10-7-11-17-12(15)2/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3
InChIKeyWDFBXZGTKZNRMZ-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.01
Rot. Bonds4

About 2-methyl-N-(1-phenylpropyl)thian-3-amine

2-methyl-N-(1-phenylpropyl)thian-3-amine (PubChem CID 79957680) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 2-methyl-N-(1-phenylpropyl)thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-(1-phenylpropyl)thian-3-amine
PubChem CID79957680
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name2-methyl-N-(1-phenylpropyl)thian-3-amine
SMILESCCC(NC1CCCSC1C)c1ccccc1
InChIInChI=1S/C15H23NS/c1-3-14(13-8-5-4-6-9-13)16-15-10-7-11-17-12(15)2/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3
InChIKeyWDFBXZGTKZNRMZ-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
2-methylsulfonyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 65046271
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
CID 79957676
2,4-dimethyl-N-(1-phenylpropyl)cyclohexan-1-amine
CID 63994859
2-methyl-N-(3-phenylbutyl)thian-3-amine
CID 79956785
N-[1-(4-ethylphenyl)ethyl]-2-methylthian-3-amine
CID 79957461
2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 106662456
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]thian-3-amine
CID 81364140
N-(3-ethylpentan-2-yl)-2-methylthian-3-amine
CID 79957150
2-cyclopropyl-N-(1-phenylpropyl)oxolan-3-amine
CID 113349312
N-(3,3-dimethyl-1-phenylbutyl)-2-methylcyclopentan-1-amine
CID 63462773

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-phenylpropyl)thian-3-amine?
The IUPAC name of 2-methyl-N-(1-phenylpropyl)thian-3-amine (CID 79957680) is 2-methyl-N-(1-phenylpropyl)thian-3-amine.
What is the SMILES notation for 2-methyl-N-(1-phenylpropyl)thian-3-amine?
The canonical SMILES for 2-methyl-N-(1-phenylpropyl)thian-3-amine is CCC(NC1CCCSC1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(1-phenylpropyl)thian-3-amine?
The InChIKey is WDFBXZGTKZNRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-14(13-8-5-4-6-9-13)16-15-10-7-11-17-12(15)2/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3.
What are the key properties of 2-methyl-N-(1-phenylpropyl)thian-3-amine?
2-methyl-N-(1-phenylpropyl)thian-3-amine has a molecular weight of 249.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-phenylpropyl)thian-3-amine is sourced from PubChem (CID 79957680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).