1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid

C10H14N4O2S — CID 115451958

IUPAC1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2C2CCSC2)CC1
InChIInChI=1S/C10H14N4O2S/c15-9(16)10(2-3-10)6-14-8(11-12-13-14)7-1-4-17-5-7/h7H,1-6H2,(H,15,16)
InChIKeyPXAPGSSSCCVXTI-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.76
Rot. Bonds4

About 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid

1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451958) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451958
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cn2nnnc2C2CCSC2)CC1
InChIInChI=1S/C10H14N4O2S/c15-9(16)10(2-3-10)6-14-8(11-12-13-14)7-1-4-17-5-7/h7H,1-6H2,(H,15,16)
InChIKeyPXAPGSSSCCVXTI-UHFFFAOYSA-N
XLogP0.76
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-cyclopropyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437185
1-[(5-cyclopentyltetrazol-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 115437179
1-[[5-(1,1-dioxothiolan-3-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 115447114
1-[[5-(2,2-dimethylcyclopropyl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 107003608
1-[[5-(oxan-2-yl)tetrazol-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 115437171
1-[[5-(4-methylphenyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312688
1-[[5-(1-methylsulfonylethyl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 104522842
1-[[5-(thiadiazol-4-yl)tetrazol-1-yl]methyl]cyclobutane-1-carboxylic acid
CID 113311520
1-[[5-(5-bromothiophen-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 107967099
1-[[5-(1-methylpyrazol-4-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 113312694
1-[[5-(methoxymethyl)tetrazol-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 115434603
1-[[5-(2-chlorofuran-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 106690601

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 115451958) is 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(Cn2nnnc2C2CCSC2)CC1.
What is the InChIKey of 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is PXAPGSSSCCVXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c15-9(16)10(2-3-10)6-14-8(11-12-13-14)7-1-4-17-5-7/h7H,1-6H2,(H,15,16).
What are the key properties of 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid?
1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(thiolan-3-yl)tetrazol-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).