4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol

C12H19NOS2 — CID 115641770

IUPAC4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol
SMILESCc1ccsc1CNCC1(O)CCSCC1
InChIInChI=1S/C12H19NOS2/c1-10-2-5-16-11(10)8-13-9-12(14)3-6-15-7-4-12/h2,5,13-14H,3-4,6-9H2,1H3
InChIKeyBEIXKUFMQOPNIX-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.40
Rot. Bonds4

About 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol

4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol (PubChem CID 115641770) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol.

Molecular Properties

Compound Name4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol
PubChem CID115641770
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC Name4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol
SMILESCc1ccsc1CNCC1(O)CCSCC1
InChIInChI=1S/C12H19NOS2/c1-10-2-5-16-11(10)8-13-9-12(14)3-6-15-7-4-12/h2,5,13-14H,3-4,6-9H2,1H3
InChIKeyBEIXKUFMQOPNIX-UHFFFAOYSA-N
XLogP2.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol 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

4,4-dimethyl-1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115591
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]thian-4-ol
CID 115654346
4-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]thian-4-ol
CID 111436780
methyl 1-[[(3-methylthiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylate
CID 115247320
4-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]thian-4-ol
CID 111436720
4-[[(5,6-dimethyl-1-benzofuran-2-yl)methylamino]methyl]thian-4-ol
CID 111778111
4-[[[5-(hydroxymethyl)furan-2-yl]methylamino]methyl]thian-4-ol
CID 111467012
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674
2-(1-hydroxycyclohexyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 111331996
3-[[(2,3-dimethylphenyl)methylamino]methyl]thiolan-3-ol
CID 111629539
4-[[(3-hydroxyphenyl)methylamino]methyl]thian-4-ol
CID 111436641

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol?
The IUPAC name of 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol (CID 115641770) is 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol.
What is the SMILES notation for 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol?
The canonical SMILES for 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol is Cc1ccsc1CNCC1(O)CCSCC1.
What is the InChIKey of 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol?
The InChIKey is BEIXKUFMQOPNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c1-10-2-5-16-11(10)8-13-9-12(14)3-6-15-7-4-12/h2,5,13-14H,3-4,6-9H2,1H3.
What are the key properties of 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol?
4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol has a molecular weight of 257.42 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylthiophen-2-yl)methylamino]methyl]thian-4-ol is sourced from PubChem (CID 115641770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).