N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine

C12H19NS2 — CID 65246378

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine
SMILESCc1cc(CNC2CCSCC2)sc1C
InChIInChI=1S/C12H19NS2/c1-9-7-12(15-10(9)2)8-13-11-3-5-14-6-4-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyPYOFFBDPNIVMSX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.35
Rot. Bonds3

About N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine

N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine (PubChem CID 65246378) has the molecular formula C12H19NS2 and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine
PubChem CID65246378
Molecular FormulaC12H19NS2
Molecular Weight241.42 g/mol
Exact Mass241.10
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine
SMILESCc1cc(CNC2CCSCC2)sc1C
InChIInChI=1S/C12H19NS2/c1-9-7-12(15-10(9)2)8-13-11-3-5-14-6-4-11/h7,11,13H,3-6,8H2,1-2H3
InChIKeyPYOFFBDPNIVMSX-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-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-[(4,5-dimethylthiophen-2-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65246388
N-[(4,5-dimethylthiophen-2-yl)methyl]piperidin-3-amine
CID 65246088
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylcyclobutan-1-amine
CID 130171661
1-cyclopropyl-N-[(4,5-dimethylthiophen-2-yl)methyl]pyrrolidin-3-amine
CID 65246233
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 65246623
N-[(4,5-dimethylthiophen-2-yl)methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903616
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 65246386
3-(3-bromophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 65246365
1-[[5-[(cyclopropylamino)methyl]-2-methylthiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 80719747
1-cyclopentyl-3-[(4,5-dimethylthiophen-2-yl)methylamino]pyrrolidine-2,5-dione
CID 65244105
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79545102
N-[(5-methyl-3-pyridinyl)methyl]thian-4-amine
CID 103864382

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine (CID 65246378) is N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine is Cc1cc(CNC2CCSCC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine?
The InChIKey is PYOFFBDPNIVMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS2/c1-9-7-12(15-10(9)2)8-13-11-3-5-14-6-4-11/h7,11,13H,3-6,8H2,1-2H3.
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine?
N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine has a molecular weight of 241.42 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]thian-4-amine is sourced from PubChem (CID 65246378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).