N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C14H16ClN5OS — CID 51092567

IUPACN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCn1nnnc1SCCC(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C14H16ClN5OS/c1-20-14(17-18-19-20)22-7-6-13(21)16-12-5-2-9-8-10(15)3-4-11(9)12/h3-4,8,12H,2,5-7H2,1H3,(H,16,21)
InChIKeyNPFMHUOTBISOPA-UHFFFAOYSA-N
MW337.84 g/mol
LogP2.15
Rot. Bonds5

About N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 51092567) has the molecular formula C14H16ClN5OS and a molecular weight of 337.84 g/mol. Its IUPAC name is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID51092567
Molecular FormulaC14H16ClN5OS
Molecular Weight337.84 g/mol
Exact Mass337.08
IUPAC NameN-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCn1nnnc1SCCC(=O)NC1CCc2cc(Cl)ccc21
InChIInChI=1S/C14H16ClN5OS/c1-20-14(17-18-19-20)22-7-6-13(21)16-12-5-2-9-8-10(15)3-4-11(9)12/h3-4,8,12H,2,5-7H2,1H3,(H,16,21)
InChIKeyNPFMHUOTBISOPA-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.84
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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(2S)-2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 51092567) is N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is Cn1nnnc1SCCC(=O)NC1CCc2cc(Cl)ccc21.
What is the InChIKey of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is NPFMHUOTBISOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5OS/c1-20-14(17-18-19-20)22-7-6-13(21)16-12-5-2-9-8-10(15)3-4-11(9)12/h3-4,8,12H,2,5-7H2,1H3,(H,16,21).
What are the key properties of N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 337.84 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 51092567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).