2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide

C12H15NOS — CID 91339808

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide
SMILESNC(=O)C(CS)C1CCc2ccccc21
InChIInChI=1S/C12H15NOS/c13-12(14)11(7-15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10-11,15H,5-7H2,(H2,13,14)
InChIKeyREPOLSMQARTXCG-UHFFFAOYSA-N
MW221.32 g/mol
LogP1.75
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide

2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide (PubChem CID 91339808) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide
PubChem CID91339808
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide
SMILESNC(=O)C(CS)C1CCc2ccccc21
InChIInChI=1S/C12H15NOS/c13-12(14)11(7-15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10-11,15H,5-7H2,(H2,13,14)
InChIKeyREPOLSMQARTXCG-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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CID 23057353
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
phenyl 2-(2,3-dihydro-1H-inden-1-yl)-2-sulfanylacetate
CID 87904940
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
methyl 2-(diaminomethylideneamino)-2-(2,3-dihydro-1H-inden-1-yl)acetate
CID 175240228
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573
1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 82506899
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
1-(2,3-dihydro-1H-inden-1-yl)ethanesulfonamide
CID 67418342

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide (CID 91339808) is 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide is NC(=O)C(CS)C1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide?
The InChIKey is REPOLSMQARTXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c13-12(14)11(7-15)10-6-5-8-3-1-2-4-9(8)10/h1-4,10-11,15H,5-7H2,(H2,13,14).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide?
2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide has a molecular weight of 221.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 91339808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).