1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one

C12H18N6O3S — CID 17398260

IUPAC1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCC(Sc1nnnn1CC1CCCO1)C(=O)N1CCNC1=O
InChIInChI=1S/C12H18N6O3S/c1-8(10(19)17-5-4-13-11(17)20)22-12-14-15-16-18(12)7-9-3-2-6-21-9/h8-9H,2-7H2,1H3,(H,13,20)
InChIKeyACNWQOQBSOAEHA-UHFFFAOYSA-N
MW326.38 g/mol
LogP-0.12
Rot. Bonds5

About 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one

1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 17398260) has the molecular formula C12H18N6O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
PubChem CID17398260
Molecular FormulaC12H18N6O3S
Molecular Weight326.38 g/mol
Exact Mass326.12
IUPAC Name1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCC(Sc1nnnn1CC1CCCO1)C(=O)N1CCNC1=O
InChIInChI=1S/C12H18N6O3S/c1-8(10(19)17-5-4-13-11(17)20)22-12-14-15-16-18(12)7-9-3-2-6-21-9/h8-9H,2-7H2,1H3,(H,13,20)
InChIKeyACNWQOQBSOAEHA-UHFFFAOYSA-N
XLogP-0.12
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
CID 9292064
(2R)-N-cyclopropyl-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388416
N-tert-butyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259252
(2R)-N-(methylcarbamoyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropanamide
CID 9388385
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 51259176
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropan-1-one
CID 41118197
N-(4-chlorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640350
1-[(2S)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 40798767
N-benzyl-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 46640571
(2R)-1-(1H-indol-3-yl)-2-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylpropan-1-one
CID 9452468
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 126836605
N-[(4-chlorophenyl)methyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259247

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one (CID 17398260) is 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one is CC(Sc1nnnn1CC1CCCO1)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is ACNWQOQBSOAEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3S/c1-8(10(19)17-5-4-13-11(17)20)22-12-14-15-16-18(12)7-9-3-2-6-21-9/h8-9H,2-7H2,1H3,(H,13,20).
What are the key properties of 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one?
1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 326.38 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 17398260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).