5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole

C11H20N4OS — CID 97351268

IUPAC5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole
SMILESCO[C@@H]1CCC[C@@H]1Sc1nnnn1CC(C)C
InChIInChI=1S/C11H20N4OS/c1-8(2)7-15-11(12-13-14-15)17-10-6-4-5-9(10)16-3/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeySBHPWUUZIYQEGP-ZJUUUORDSA-N
MW256.37 g/mol
LogP1.99
Rot. Bonds5

About 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole

5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole (PubChem CID 97351268) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole
PubChem CID97351268
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole
SMILESCO[C@@H]1CCC[C@@H]1Sc1nnnn1CC(C)C
InChIInChI=1S/C11H20N4OS/c1-8(2)7-15-11(12-13-14-15)17-10-6-4-5-9(10)16-3/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeySBHPWUUZIYQEGP-ZJUUUORDSA-N
XLogP1.99
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole?
The IUPAC name of 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole (CID 97351268) is 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole.
What is the SMILES notation for 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole?
The canonical SMILES for 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole is CO[C@@H]1CCC[C@@H]1Sc1nnnn1CC(C)C.
What is the InChIKey of 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole?
The InChIKey is SBHPWUUZIYQEGP-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-8(2)7-15-11(12-13-14-15)17-10-6-4-5-9(10)16-3/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole?
5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole has a molecular weight of 256.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2R)-2-methoxycyclopentyl]sulfanyl-1-(2-methylpropyl)tetrazole is sourced from PubChem (CID 97351268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).