1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole

C16H20N4O2S — CID 99832324

IUPAC1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole
SMILESC[C@@H](c1nnnn1C1CC1)S(=O)(=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C16H20N4O2S/c1-11(16-17-18-19-20(16)13-9-10-13)23(21,22)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,11,13,15H,4,6,8-10H2,1H3/t11-,15+/m0/s1
InChIKeyAQAKTIAZBVXQFH-XHDPSFHLSA-N
MW332.43 g/mol
LogP2.56
Rot. Bonds4

About 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole

1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole (PubChem CID 99832324) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole
PubChem CID99832324
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole
SMILESC[C@@H](c1nnnn1C1CC1)S(=O)(=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C16H20N4O2S/c1-11(16-17-18-19-20(16)13-9-10-13)23(21,22)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,11,13,15H,4,6,8-10H2,1H3/t11-,15+/m0/s1
InChIKeyAQAKTIAZBVXQFH-XHDPSFHLSA-N
XLogP2.56
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole (CID 99832324) is 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole is C[C@@H](c1nnnn1C1CC1)S(=O)(=O)[C@@H]1CCCc2ccccc21.
What is the InChIKey of 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole?
The InChIKey is AQAKTIAZBVXQFH-XHDPSFHLSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(16-17-18-19-20(16)13-9-10-13)23(21,22)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,11,13,15H,4,6,8-10H2,1H3/t11-,15+/m0/s1.
What are the key properties of 1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole?
1-cyclopropyl-5-[(1S)-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole has a molecular weight of 332.43 g/mol, XLogP of 2.56, 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-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]ethyl]tetrazole is sourced from PubChem (CID 99832324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).