2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine

C9H15NS2 — CID 66229730

IUPAC2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCc1ccsc1
InChIInChI=1S/C9H15NS2/c1-9(2,10)7-12-6-8-3-4-11-5-8/h3-5H,6-7,10H2,1-2H3
InChIKeyVJOMNCBVGVGWOJ-UHFFFAOYSA-N
MW201.36 g/mol
LogP2.72
Rot. Bonds4

About 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine

2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine (PubChem CID 66229730) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
PubChem CID66229730
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC Name2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine
SMILESCC(C)(N)CSCc1ccsc1
InChIInChI=1S/C9H15NS2/c1-9(2,10)7-12-6-8-3-4-11-5-8/h3-5H,6-7,10H2,1-2H3
InChIKeyVJOMNCBVGVGWOJ-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[[4-(trifluoromethyl)phenyl]methylsulfanyl]propan-2-amine
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2-methyl-1-(pyridin-3-ylmethylsulfanyl)propan-2-amine
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ethyl (2R)-2-amino-3-(thiophen-3-ylmethylsulfanyl)propanoate;hydrochloride
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S-(thiophen-3-ylmethyl) ethanethioate
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CID 106443253
2-methyl-1-(thiophen-3-ylmethylsulfonyl)propan-2-amine
CID 81189148
1-[(2-methylpropan-2-yl)oxy]-3-thiophen-3-ylpropan-2-amine
CID 105137519
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
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4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine?
The IUPAC name of 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine (CID 66229730) is 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine is CC(C)(N)CSCc1ccsc1.
What is the InChIKey of 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine?
The InChIKey is VJOMNCBVGVGWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS2/c1-9(2,10)7-12-6-8-3-4-11-5-8/h3-5H,6-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine?
2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine has a molecular weight of 201.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thiophen-3-ylmethylsulfanyl)propan-2-amine is sourced from PubChem (CID 66229730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).