(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine

C14H25N5O2S — CID 124741283

IUPAC(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCO[C@H](CSc2nnnn2C[C@H]2CCCO2)C1
InChIInChI=1S/C14H25N5O2S/c1-11(2)18-5-7-21-13(8-18)10-22-14-15-16-17-19(14)9-12-4-3-6-20-12/h11-13H,3-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyWAZDTFRQMQWREV-OLZOCXBDSA-N
MW327.45 g/mol
LogP1.05
Rot. Bonds6

About (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine

(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine (PubChem CID 124741283) has the molecular formula C14H25N5O2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine
PubChem CID124741283
Molecular FormulaC14H25N5O2S
Molecular Weight327.45 g/mol
Exact Mass327.17
IUPAC Name(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCO[C@H](CSc2nnnn2C[C@H]2CCCO2)C1
InChIInChI=1S/C14H25N5O2S/c1-11(2)18-5-7-21-13(8-18)10-22-14-15-16-17-19(14)9-12-4-3-6-20-12/h11-13H,3-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyWAZDTFRQMQWREV-OLZOCXBDSA-N
XLogP1.05
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine with MolForge

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Related Compounds

5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
4-propan-2-yl-5-[(4-propan-2-ylmorpholin-2-yl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 64534933
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
1-(azepan-1-yl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 127667265
N-(methylcarbamoyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetamide
CID 9388365
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 126836605
6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 24523086
N-[1-(4-fluorophenyl)ethyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51259203
2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanyl-1-(4-propan-2-yloxyphenyl)ethanone
CID 52511255
N-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 51240238
(2R)-N-cyclopropyl-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388416
5-(1-chloroethyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 103084369

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine?
The IUPAC name of (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine (CID 124741283) is (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine?
The canonical SMILES for (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine is CC(C)N1CCO[C@H](CSc2nnnn2C[C@H]2CCCO2)C1.
What is the InChIKey of (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine?
The InChIKey is WAZDTFRQMQWREV-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H25N5O2S/c1-11(2)18-5-7-21-13(8-18)10-22-14-15-16-17-19(14)9-12-4-3-6-20-12/h11-13H,3-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine?
(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine has a molecular weight of 327.45 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 124741283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).