2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine

C14H23NS2 — CID 79957676

IUPAC2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
SMILESCCCC(NC1CCCSC1C)c1cccs1
InChIInChI=1S/C14H23NS2/c1-3-6-13(14-8-5-10-17-14)15-12-7-4-9-16-11(12)2/h5,8,10-13,15H,3-4,6-7,9H2,1-2H3
InChIKeyFFKVTFCMZVEDOJ-UHFFFAOYSA-N
MW269.48 g/mol
LogP4.46
Rot. Bonds5

About 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine

2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine (PubChem CID 79957676) has the molecular formula C14H23NS2 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
PubChem CID79957676
Molecular FormulaC14H23NS2
Molecular Weight269.48 g/mol
Exact Mass269.13
IUPAC Name2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine
SMILESCCCC(NC1CCCSC1C)c1cccs1
InChIInChI=1S/C14H23NS2/c1-3-6-13(14-8-5-10-17-14)15-12-7-4-9-16-11(12)2/h5,8,10-13,15H,3-4,6-7,9H2,1-2H3
InChIKeyFFKVTFCMZVEDOJ-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-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

2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
CID 81398612
2-(1-thiophen-2-ylbutylamino)cyclohexane-1-carbonitrile
CID 62741344
N-(1-thiophen-2-ylbutyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853218
3-methyl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 55194083
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 79536699
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine
CID 102684058
2-methyl-N-(1-phenylpropyl)thian-3-amine
CID 79957680
4-methoxy-N-(1-thiophen-2-ylbutyl)cyclohexan-1-amine
CID 113414380
4-propyl-N-(1-thiophen-2-ylbutyl)cycloheptan-1-amine
CID 65091558
N-(1-thiophen-2-ylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754879
3-ethoxy-N-(1-thiophen-2-ylbutyl)cyclobutan-1-amine
CID 112553091
2-tert-butyl-N-(1-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 43673863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine?
The IUPAC name of 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine (CID 79957676) is 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine.
What is the SMILES notation for 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine?
The canonical SMILES for 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine is CCCC(NC1CCCSC1C)c1cccs1.
What is the InChIKey of 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine?
The InChIKey is FFKVTFCMZVEDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS2/c1-3-6-13(14-8-5-10-17-14)15-12-7-4-9-16-11(12)2/h5,8,10-13,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine?
2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine has a molecular weight of 269.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-thiophen-2-ylbutyl)thian-3-amine is sourced from PubChem (CID 79957676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).