2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone

C13H21N5O2S — CID 802635

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnnn1C1CCCCC1)N1CCOCC1
InChIInChI=1S/C13H21N5O2S/c19-12(17-6-8-20-9-7-17)10-21-13-14-15-16-18(13)11-4-2-1-3-5-11/h11H,1-10H2
InChIKeyCIUVLAOKVYFLDP-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.13
Rot. Bonds4

About 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 802635) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID802635
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESO=C(CSc1nnnn1C1CCCCC1)N1CCOCC1
InChIInChI=1S/C13H21N5O2S/c19-12(17-6-8-20-9-7-17)10-21-13-14-15-16-18(13)11-4-2-1-3-5-11/h11H,1-10H2
InChIKeyCIUVLAOKVYFLDP-UHFFFAOYSA-N
XLogP1.13
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone (CID 802635) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is O=C(CSc1nnnn1C1CCCCC1)N1CCOCC1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is CIUVLAOKVYFLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c19-12(17-6-8-20-9-7-17)10-21-13-14-15-16-18(13)11-4-2-1-3-5-11/h11H,1-10H2.
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 311.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 802635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).