2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine

C10H17NS2 — CID 115895627

IUPAC2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCSC(C)CNC(C)c1ccsc1
InChIInChI=1S/C10H17NS2/c1-8(12-3)6-11-9(2)10-4-5-13-7-10/h4-5,7-9,11H,6H2,1-3H3
InChIKeyCJMVMZVRXIDRTR-UHFFFAOYSA-N
MW215.39 g/mol
LogP3.15
Rot. Bonds5

About 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine

2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine (PubChem CID 115895627) has the molecular formula C10H17NS2 and a molecular weight of 215.39 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
PubChem CID115895627
Molecular FormulaC10H17NS2
Molecular Weight215.39 g/mol
Exact Mass215.08
IUPAC Name2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine
SMILESCSC(C)CNC(C)c1ccsc1
InChIInChI=1S/C10H17NS2/c1-8(12-3)6-11-9(2)10-4-5-13-7-10/h4-5,7-9,11H,6H2,1-3H3
InChIKeyCJMVMZVRXIDRTR-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
2-piperidin-1-yl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089125
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
2-methylsulfanyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115757742
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
3,3,3-trifluoro-2-[(1-thiophen-3-ylethylamino)methyl]propanenitrile
CID 103367252
1-ethoxy-3-(1-thiophen-3-ylethylamino)propan-2-ol
CID 63934503
methyl 2-bromo-3-(1-thiophen-3-ylethylamino)propanoate
CID 103249721
N-[(5-chlorothiophen-2-yl)methyl]-1-thiophen-3-ylethanamine
CID 62841664

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The IUPAC name of 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine (CID 115895627) is 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine.
What is the SMILES notation for 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The canonical SMILES for 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine is CSC(C)CNC(C)c1ccsc1.
What is the InChIKey of 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine?
The InChIKey is CJMVMZVRXIDRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS2/c1-8(12-3)6-11-9(2)10-4-5-13-7-10/h4-5,7-9,11H,6H2,1-3H3.
What are the key properties of 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine?
2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine has a molecular weight of 215.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(1-thiophen-3-ylethyl)propan-1-amine is sourced from PubChem (CID 115895627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).