5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole

C12H17N3S — CID 176938208

IUPAC5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1SN1CCNCC1)CCN2
InChIInChI=1S/C12H17N3S/c1-2-12-10(3-4-14-12)9-11(1)16-15-7-5-13-6-8-15/h1-2,9,13-14H,3-8H2
InChIKeyNQMNVGXOOWWIMC-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.57
Rot. Bonds2

About 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole

5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole (PubChem CID 176938208) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole
PubChem CID176938208
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1SN1CCNCC1)CCN2
InChIInChI=1S/C12H17N3S/c1-2-12-10(3-4-14-12)9-11(1)16-15-7-5-13-6-8-15/h1-2,9,13-14H,3-8H2
InChIKeyNQMNVGXOOWWIMC-UHFFFAOYSA-N
XLogP1.57
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)piperazine
CID 117033861
N-(2,3-dihydro-1H-indol-5-ylsulfanyl)-2-methylpropan-2-amine
CID 177146854
2-[4-(2,3-dihydro-1H-indol-5-ylsulfanyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile;ethane
CID 176938421
5-(4-methylsulfanylphenyl)sulfanyl-2,3-dihydro-1H-indole
CID 22498835
7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
5-(aziridin-2-yl)-2,3-dihydro-1H-indole
CID 88562655
5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one
CID 82256389
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 139022525
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole (CID 176938208) is 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole is c1cc2c(cc1SN1CCNCC1)CCN2.
What is the InChIKey of 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole?
The InChIKey is NQMNVGXOOWWIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-2-12-10(3-4-14-12)9-11(1)16-15-7-5-13-6-8-15/h1-2,9,13-14H,3-8H2.
What are the key properties of 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole?
5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole has a molecular weight of 235.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylsulfanyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 176938208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).