1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine

C11H18N2S — CID 130528115

IUPAC1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine
SMILESNC(CC1CCSCC1)c1ccc[nH]1
InChIInChI=1S/C11H18N2S/c12-10(11-2-1-5-13-11)8-9-3-6-14-7-4-9/h1-2,5,9-10,13H,3-4,6-8,12H2
InChIKeyVUDHCLZPHKEMCS-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.55
Rot. Bonds3

About 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine

1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine (PubChem CID 130528115) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine
PubChem CID130528115
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine
SMILESNC(CC1CCSCC1)c1ccc[nH]1
InChIInChI=1S/C11H18N2S/c12-10(11-2-1-5-13-11)8-9-3-6-14-7-4-9/h1-2,5,9-10,13H,3-4,6-8,12H2
InChIKeyVUDHCLZPHKEMCS-UHFFFAOYSA-N
XLogP2.55
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(thian-4-yl)ethanamine
CID 105119564
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
3-[(1R)-1-amino-2-cyclopropylethyl]-1H-pyridin-2-one
CID 130719502
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
(1R)-1-(1H-pyrrol-2-yl)but-3-en-1-amine
CID 55292248
1-(4-tert-butylphenyl)-2-(thian-4-yl)ethanamine
CID 105140456
1-(4-methoxyphenyl)-2-(thian-4-yl)ethanamine
CID 105095213
1-(3,5-dimethylphenyl)-2-(thian-4-yl)ethanamine
CID 105096944
1-(2,4-difluorophenyl)-2-(thian-4-yl)ethanamine
CID 105143676
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
(R)-cyclohexyl(1H-pyrrol-2-yl)methanamine
CID 130674193
1-(3-methoxy-2-pyridinyl)-2-(thian-4-yl)ethanamine
CID 114054414

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine (CID 130528115) is 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine is NC(CC1CCSCC1)c1ccc[nH]1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine?
The InChIKey is VUDHCLZPHKEMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c12-10(11-2-1-5-13-11)8-9-3-6-14-7-4-9/h1-2,5,9-10,13H,3-4,6-8,12H2.
What are the key properties of 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine?
1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 130528115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).