2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine

C10H16N2S — CID 130628513

IUPAC2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1NCc1cc[nH]c1
InChIInChI=1S/C10H16N2S/c1-8-10(3-5-13-8)12-7-9-2-4-11-6-9/h2,4,6,8,10-12H,3,5,7H2,1H3
InChIKeyZFIDWXDKPOIKLA-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.00
Rot. Bonds3

About 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine

2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine (PubChem CID 130628513) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
PubChem CID130628513
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine
SMILESCC1SCCC1NCc1cc[nH]c1
InChIInChI=1S/C10H16N2S/c1-8-10(3-5-13-8)12-7-9-2-4-11-6-9/h2,4,6,8,10-12H,3,5,7H2,1H3
InChIKeyZFIDWXDKPOIKLA-UHFFFAOYSA-N
XLogP2.00
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1H-pyrrol-3-yl)methanamine
CID 58091207
N-[(1-ethylpyrrol-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103270453
N-(1H-pyrrol-3-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 103746798
N-[(1-methylpyrrol-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103871862
4,4,4-trifluoro-N-(1H-pyrrol-3-ylmethyl)butan-2-amine
CID 104854641
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 113544091
N-[(1-propylpyrrol-3-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 113826217
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 116617058
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 116617059
N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 116617060
2-methyl-N-[[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-3-yl]methyl]propan-2-amine
CID 116617062
3-[(3-fluoro-3-methylpyrrolidin-1-yl)methyl]-1H-pyrrole
CID 131201224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine (CID 130628513) is 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine is CC1SCCC1NCc1cc[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine?
The InChIKey is ZFIDWXDKPOIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-8-10(3-5-13-8)12-7-9-2-4-11-6-9/h2,4,6,8,10-12H,3,5,7H2,1H3.
What are the key properties of 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine?
2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine has a molecular weight of 196.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrrol-3-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 130628513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).