1H-indol-3-yl(pyrrolidin-1-yl)methanethione

C13H14N2S — CID 750123

IUPAC1H-indol-3-yl(pyrrolidin-1-yl)methanethione
SMILESS=C(c1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C13H14N2S/c16-13(15-7-3-4-8-15)11-9-14-12-6-2-1-5-10(11)12/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyGCHKVHJBPKTOPQ-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.94
Rot. Bonds1

About 1H-indol-3-yl(pyrrolidin-1-yl)methanethione

1H-indol-3-yl(pyrrolidin-1-yl)methanethione (PubChem CID 750123) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 1H-indol-3-yl(pyrrolidin-1-yl)methanethione.

Molecular Properties

Compound Name1H-indol-3-yl(pyrrolidin-1-yl)methanethione
PubChem CID750123
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1H-indol-3-yl(pyrrolidin-1-yl)methanethione
SMILESS=C(c1c[nH]c2ccccc12)N1CCCC1
InChIInChI=1S/C13H14N2S/c16-13(15-7-3-4-8-15)11-9-14-12-6-2-1-5-10(11)12/h1-2,5-6,9,14H,3-4,7-8H2
InChIKeyGCHKVHJBPKTOPQ-UHFFFAOYSA-N
XLogP2.94
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1H-indol-3-yl(pyrrolidin-1-yl)methanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1H-indol-3-yl(pyrrolidin-1-yl)methylidene]propanedinitrile
CID 102009944
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 7605811
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740
N-(1H-indol-3-ylmethyl)piperidine-1-carbothioamide
CID 10492515
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
1H-indol-3-yl(oxazinan-2-yl)methanone
CID 113375881
(3,3-dimethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 79036861
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl(pyrrolidin-1-yl)methanethione?
The IUPAC name of 1H-indol-3-yl(pyrrolidin-1-yl)methanethione (CID 750123) is 1H-indol-3-yl(pyrrolidin-1-yl)methanethione.
What is the SMILES notation for 1H-indol-3-yl(pyrrolidin-1-yl)methanethione?
The canonical SMILES for 1H-indol-3-yl(pyrrolidin-1-yl)methanethione is S=C(c1c[nH]c2ccccc12)N1CCCC1.
What is the InChIKey of 1H-indol-3-yl(pyrrolidin-1-yl)methanethione?
The InChIKey is GCHKVHJBPKTOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c16-13(15-7-3-4-8-15)11-9-14-12-6-2-1-5-10(11)12/h1-2,5-6,9,14H,3-4,7-8H2.
What are the key properties of 1H-indol-3-yl(pyrrolidin-1-yl)methanethione?
1H-indol-3-yl(pyrrolidin-1-yl)methanethione has a molecular weight of 230.34 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl(pyrrolidin-1-yl)methanethione is sourced from PubChem (CID 750123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).