4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine

C15H27N5S — CID 3193507

IUPAC4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCSCC1
InChIInChI=1S/C15H27N5S/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyBQJMPOJCNALREP-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.92
Rot. Bonds4

About 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine

4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine (PubChem CID 3193507) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine.

Molecular Properties

Compound Name4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
PubChem CID3193507
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC Name4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
SMILESCC(C)C(c1nnnn1C1CCCCC1)N1CCSCC1
InChIInChI=1S/C15H27N5S/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3
InChIKeyBQJMPOJCNALREP-UHFFFAOYSA-N
XLogP2.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine?
The IUPAC name of 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine (CID 3193507) is 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine.
What is the SMILES notation for 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine?
The canonical SMILES for 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine is CC(C)C(c1nnnn1C1CCCCC1)N1CCSCC1.
What is the InChIKey of 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine?
The InChIKey is BQJMPOJCNALREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5S/c1-12(2)14(19-8-10-21-11-9-19)15-16-17-18-20(15)13-6-4-3-5-7-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine?
4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine has a molecular weight of 309.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine is sourced from PubChem (CID 3193507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).