1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine

C10H12N2S — CID 66407617

IUPAC1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNCc2cc[nH]c2)c1
InChIInChI=1S/C10H12N2S/c1-2-10(13-5-1)8-12-7-9-3-4-11-6-9/h1-6,11-12H,7-8H2
InChIKeyXQVXKBJSCXFGSE-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.37
Rot. Bonds4

About 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine

1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 66407617) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID66407617
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESc1csc(CNCc2cc[nH]c2)c1
InChIInChI=1S/C10H12N2S/c1-2-10(13-5-1)8-12-7-9-3-4-11-6-9/h1-6,11-12H,7-8H2
InChIKeyXQVXKBJSCXFGSE-UHFFFAOYSA-N
XLogP2.37
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol
CID 83962635
N-[(3,5-dichlorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 54798944
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanamine
CID 115212986
1-(3-fluorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 28668397
N-[(1-methylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126966027
N-(1H-pyrrol-3-ylmethyl)-2-thiophen-2-ylaniline
CID 66408303
[3-[(thiophen-2-ylmethylamino)methyl]phenyl]methanol;hydrochloride
CID 115615873
1-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834212
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
2-methyl-5-[(thiophen-2-ylmethylamino)methyl]aniline
CID 61150338
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 1460717
2-(1H-pyrrol-3-ylmethylamino)ethanethiol
CID 115223957

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 66407617) is 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine is c1csc(CNCc2cc[nH]c2)c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is XQVXKBJSCXFGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-10(13-5-1)8-12-7-9-3-4-11-6-9/h1-6,11-12H,7-8H2.
What are the key properties of 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 192.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 66407617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).