N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine

C9H15NS2 — CID 123818114

IUPACN-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCSCCN(C)Cc1cccs1
InChIInChI=1S/C9H15NS2/c1-10(5-7-11-2)8-9-4-3-6-12-9/h3-4,6H,5,7-8H2,1-2H3
InChIKeyNXKBUXZLEPEOMR-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.54
Rot. Bonds5

About N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine

N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 123818114) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID123818114
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC NameN-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
SMILESCSCCN(C)Cc1cccs1
InChIInChI=1S/C9H15NS2/c1-10(5-7-11-2)8-9-4-3-6-12-9/h3-4,6H,5,7-8H2,1-2H3
InChIKeyNXKBUXZLEPEOMR-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
4-bromo-N-methyl-N-(thiophen-2-ylmethyl)butan-1-amine
CID 61287126
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
(2R)-2-amino-N-methyl-4-methylsulfanyl-N-(thiophen-2-ylmethyl)butanamide
CID 104906974
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
N-[(2-methoxyphenyl)methyl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine
CID 112796417
2,2-dimethyl-4-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 65247891
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N'-methyl-N-(3-methylphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560213
N'-methyl-N-pentyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560031
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine (CID 123818114) is N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine is CSCCN(C)Cc1cccs1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is NXKBUXZLEPEOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-10(5-7-11-2)8-9-4-3-6-12-9/h3-4,6H,5,7-8H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine?
N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 201.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 123818114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).