4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid

C10H15N5O2S — CID 82908861

IUPAC4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O2S/c16-10(17)8-6-18-4-3-14(8)5-9-11-12-13-15(9)7-1-2-7/h7-8H,1-6H2,(H,16,17)
InChIKeyJPNSUIVONLGNSX-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.01
Rot. Bonds4

About 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid

4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid (PubChem CID 82908861) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid
PubChem CID82908861
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid
SMILESO=C(O)C1CSCCN1Cc1nnnn1C1CC1
InChIInChI=1S/C10H15N5O2S/c16-10(17)8-6-18-4-3-14(8)5-9-11-12-13-15(9)7-1-2-7/h7-8H,1-6H2,(H,16,17)
InChIKeyJPNSUIVONLGNSX-UHFFFAOYSA-N
XLogP0.01
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid (CID 82908861) is 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid is O=C(O)C1CSCCN1Cc1nnnn1C1CC1.
What is the InChIKey of 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid?
The InChIKey is JPNSUIVONLGNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c16-10(17)8-6-18-4-3-14(8)5-9-11-12-13-15(9)7-1-2-7/h7-8H,1-6H2,(H,16,17).
What are the key properties of 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid?
4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropyltetrazol-5-yl)methyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82908861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).