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

C8H13NS2 — CID 66217000

IUPAC1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)CSCc1cccs1
InChIInChI=1S/C8H13NS2/c1-7(9)5-10-6-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3
InChIKeyQRCGHMVVGCHGRQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.33
Rot. Bonds4

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

1-(thiophen-2-ylmethylsulfanyl)propan-2-amine (PubChem CID 66217000) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
PubChem CID66217000
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC Name1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
SMILESCC(N)CSCc1cccs1
InChIInChI=1S/C8H13NS2/c1-7(9)5-10-6-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3
InChIKeyQRCGHMVVGCHGRQ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
CID 36690947
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
CID 66218968
2-(methylsulfanylmethyl)thiophene
CID 12872111
4-methyl-5-thiophen-2-ylpentan-2-amine
CID 64721186
3-methyl-1-thiophen-2-ylpentan-2-amine
CID 61079599
2-(thiophen-2-ylmethylsulfanyl)ethylazanium
CID 7129022
1-tert-butylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65132598
1-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 61150337
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
1-(2-thiophen-2-ylethylsulfanyl)butan-2-amine
CID 66231037
(2S)-1-[(4-chlorophenyl)methylsulfanyl]propan-2-amine
CID 104971612
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine (CID 66217000) is 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine is CC(N)CSCc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine?
The InChIKey is QRCGHMVVGCHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-7(9)5-10-6-8-3-2-4-11-8/h2-4,7H,5-6,9H2,1H3.
What are the key properties of 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine?
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethylsulfanyl)propan-2-amine is sourced from PubChem (CID 66217000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).