N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine

C9H15NS2 — CID 105154090

IUPACN-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
SMILESCNC(CCSC)c1ccsc1
InChIInChI=1S/C9H15NS2/c1-10-9(4-5-11-2)8-3-6-12-7-8/h3,6-7,9-10H,4-5H2,1-2H3
InChIKeyIKMNDTBBCGFQDR-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.76
Rot. Bonds5

About N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine

N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine (PubChem CID 105154090) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
PubChem CID105154090
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC NameN-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine
SMILESCNC(CCSC)c1ccsc1
InChIInChI=1S/C9H15NS2/c1-10-9(4-5-11-2)8-3-6-12-7-8/h3,6-7,9-10H,4-5H2,1-2H3
InChIKeyIKMNDTBBCGFQDR-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946
N-methyl-1-thiophen-3-ylpent-4-yn-1-amine
CID 63656286
4-methylsulfanyl-N-(1-thiophen-3-ylethyl)butan-2-amine
CID 115722040
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
N,3,3-trimethyl-1-thiophen-3-ylbutan-1-amine
CID 65105045
2-tert-butylsulfanyl-N-methyl-1-thiophen-3-ylethanamine
CID 65133054
1-(4-bromothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105166846
1-(3,4-dimethoxyphenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105141261
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-methyl-2-(thian-4-yl)-1-thiophen-3-ylethanamine
CID 105153997
2-(furan-2-yl)-N-methyl-1-thiophen-3-ylethanamine
CID 83175693
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine (CID 105154090) is N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine is CNC(CCSC)c1ccsc1.
What is the InChIKey of N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine?
The InChIKey is IKMNDTBBCGFQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-10-9(4-5-11-2)8-3-6-12-7-8/h3,6-7,9-10H,4-5H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine?
N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine has a molecular weight of 201.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-1-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 105154090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).