N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine

C12H19NOS2 — CID 115655467

IUPACN-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCSC1(CNCc2cccs2)CCOCC1
InChIInChI=1S/C12H19NOS2/c1-15-12(4-6-14-7-5-12)10-13-9-11-3-2-8-16-11/h2-3,8,13H,4-7,9-10H2,1H3
InChIKeyXMAZYZYBCJDQJI-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.75
Rot. Bonds5

About N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 115655467) has the molecular formula C12H19NOS2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID115655467
Molecular FormulaC12H19NOS2
Molecular Weight257.42 g/mol
Exact Mass257.09
IUPAC NameN-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCSC1(CNCc2cccs2)CCOCC1
InChIInChI=1S/C12H19NOS2/c1-15-12(4-6-14-7-5-12)10-13-9-11-3-2-8-16-11/h2-3,8,13H,4-7,9-10H2,1H3
InChIKeyXMAZYZYBCJDQJI-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 71868510
N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 104594809
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 71869947
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
CID 55027346
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)methanamine
CID 107267632

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 115655467) is N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine is CSC1(CNCc2cccs2)CCOCC1.
What is the InChIKey of N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is XMAZYZYBCJDQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS2/c1-15-12(4-6-14-7-5-12)10-13-9-11-3-2-8-16-11/h2-3,8,13H,4-7,9-10H2,1H3.
What are the key properties of N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanyloxan-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 115655467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).