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

C15H27N5S — CID 1431602

IUPAC4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
SMILESCC(C)[C@H](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/t14-/m1/s1
InChIKeyBQJMPOJCNALREP-CQSZACIVSA-N
MW309.48 g/mol
LogP2.92
Rot. Bonds4

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

4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine (PubChem CID 1431602) has the molecular formula C15H27N5S and a molecular weight of 309.48 g/mol. Its IUPAC name is 4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine.

Molecular Properties

Compound Name4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
PubChem CID1431602
Molecular FormulaC15H27N5S
Molecular Weight309.48 g/mol
Exact Mass309.20
IUPAC Name4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine
SMILESCC(C)[C@H](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/t14-/m1/s1
InChIKeyBQJMPOJCNALREP-CQSZACIVSA-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-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine?
The IUPAC name of 4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine (CID 1431602) is 4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine.
What is the SMILES notation for 4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine?
The canonical SMILES for 4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine is CC(C)[C@H](c1nnnn1C1CCCCC1)N1CCSCC1.
What is the InChIKey of 4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine?
The InChIKey is BQJMPOJCNALREP-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of 4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine?
4-[(1R)-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-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholine is sourced from PubChem (CID 1431602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).