1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole

C15H18N4O2S — CID 99859193

IUPAC1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole
SMILESC[C@@H](c1nnnn1C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N4O2S/c1-10(15-16-17-18-19(15)13-6-7-13)22(20,21)14-8-5-11-3-2-4-12(11)9-14/h5,8-10,13H,2-4,6-7H2,1H3/t10-/m0/s1
InChIKeyCIXLZELVHMHAIG-JTQLQIEISA-N
MW318.40 g/mol
LogP2.03
Rot. Bonds4

About 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole

1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole (PubChem CID 99859193) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole
PubChem CID99859193
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole
SMILESC[C@@H](c1nnnn1C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N4O2S/c1-10(15-16-17-18-19(15)13-6-7-13)22(20,21)14-8-5-11-3-2-4-12(11)9-14/h5,8-10,13H,2-4,6-7H2,1H3/t10-/m0/s1
InChIKeyCIXLZELVHMHAIG-JTQLQIEISA-N
XLogP2.03
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1R)-1-(1-cyclohexyltetrazol-5-yl)ethyl]sulfonylpyridine
CID 124620967
N-[(1R)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-methoxybenzenesulfonamide
CID 124845298
3-chloro-8-(2,3-dihydro-1H-inden-5-ylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 63762795
9-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,9-diazabicyclo[4.2.1]nonane
CID 120719704
(1R,9S)-12-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methyl-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodeca-4,6-diene
CID 163336127
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119984380
N-[(1S)-1-(1-cyclopropyltetrazol-5-yl)ethyl]-4-(3-methylbutoxy)benzenesulfonamide
CID 124849969
(2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]propanamide
CID 9257890
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanamine
CID 63255080
2-(2,3-dihydro-1H-inden-5-ylsulfonyl)-5-ethyl-2,5-diazabicyclo[2.2.2]octane
CID 58677837

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole (CID 99859193) is 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole is C[C@@H](c1nnnn1C1CC1)S(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole?
The InChIKey is CIXLZELVHMHAIG-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10(15-16-17-18-19(15)13-6-7-13)22(20,21)14-8-5-11-3-2-4-12(11)9-14/h5,8-10,13H,2-4,6-7H2,1H3/t10-/m0/s1.
What are the key properties of 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole?
1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole has a molecular weight of 318.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(1S)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)ethyl]tetrazole is sourced from PubChem (CID 99859193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).