2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine

C7H12N2S — CID 116830292

IUPAC2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine
SMILESCSCC(N)c1cc[nH]c1
InChIInChI=1S/C7H12N2S/c1-10-5-7(8)6-2-3-9-4-6/h2-4,7,9H,5,8H2,1H3
InChIKeyAYSNZEBSZILWTA-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.38
Rot. Bonds3

About 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine

2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine (PubChem CID 116830292) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine
PubChem CID116830292
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine
SMILESCSCC(N)c1cc[nH]c1
InChIInChI=1S/C7H12N2S/c1-10-5-7(8)6-2-3-9-4-6/h2-4,7,9H,5,8H2,1H3
InChIKeyAYSNZEBSZILWTA-UHFFFAOYSA-N
XLogP1.38
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
CID 116850660
2-(1H-pyrrol-3-yl)propan-1-amine
CID 82280053
hydrazinyl(1H-pyrrol-3-yl)methanamine
CID 116947455
(1R)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603339
(1S)-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 94603340
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
CID 116936135
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethanamine
CID 82280266
1-(4-methoxy-3-propan-2-ylphenyl)-2-methylsulfanylethanamine
CID 116830269
3-amino-1-(1H-pyrrol-3-yl)propan-1-ol
CID 82280085
[1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol
CID 116943238

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine (CID 116830292) is 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine is CSCC(N)c1cc[nH]c1.
What is the InChIKey of 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is AYSNZEBSZILWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-10-5-7(8)6-2-3-9-4-6/h2-4,7,9H,5,8H2,1H3.
What are the key properties of 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine?
2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 156.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 116830292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).