1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine

C8H13NS2 — CID 62693823

IUPAC1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine
SMILESCSCC(N)Cc1cccs1
InChIInChI=1S/C8H13NS2/c1-10-6-7(9)5-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3
InChIKeyPCOUIANQSHKAPU-UHFFFAOYSA-N
MW187.33 g/mol
LogP1.98
Rot. Bonds4

About 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine

1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 62693823) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine
PubChem CID62693823
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine
SMILESCSCC(N)Cc1cccs1
InChIInChI=1S/C8H13NS2/c1-10-6-7(9)5-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3
InChIKeyPCOUIANQSHKAPU-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine (CID 62693823) is 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine is CSCC(N)Cc1cccs1.
What is the InChIKey of 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is PCOUIANQSHKAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-10-6-7(9)5-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3.
What are the key properties of 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine?
1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 62693823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).