(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

C9H15N5O2S — CID 40791078

IUPAC(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Sc1nnnn1C)C(=O)N1CCOCC1
InChIInChI=1S/C9H15N5O2S/c1-7(17-9-10-11-12-13(9)2)8(15)14-3-5-16-6-4-14/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyASYUQJWIAPEWDP-ZETCQYMHSA-N
MW257.32 g/mol
LogP-0.45
Rot. Bonds3

About (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one

(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 40791078) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID40791078
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Sc1nnnn1C)C(=O)N1CCOCC1
InChIInChI=1S/C9H15N5O2S/c1-7(17-9-10-11-12-13(9)2)8(15)14-3-5-16-6-4-14/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyASYUQJWIAPEWDP-ZETCQYMHSA-N
XLogP-0.45
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-morpholin-4-ylpropan-1-one
CID 46638582
(2S)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 33482061
(2S)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
CID 129370493
(2R)-1-morpholin-4-yl-2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propan-1-one
CID 42272546
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 16506691
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7465434
1-(azepan-1-yl)-2-(1-prop-2-enyltetrazol-5-yl)sulfanylpropan-1-one
CID 122157728
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(1-methyltetrazol-5-yl)sulfanylpropan-1-one
CID 7365402
(2R)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7713689
2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 43885604
(2R)-N-cyclohexyl-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 52887765
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 43117472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 40791078) is (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is C[C@H](Sc1nnnn1C)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is ASYUQJWIAPEWDP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-7(17-9-10-11-12-13(9)2)8(15)14-3-5-16-6-4-14/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one?
(2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 257.32 g/mol, XLogP of -0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-methyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 40791078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).