2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide

C8H13N5O2S — CID 43416214

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCCO
InChIInChI=1S/C8H13N5O2S/c14-4-3-9-7(15)5-16-8-10-11-12-13(8)6-1-2-6/h6,14H,1-5H2,(H,9,15)
InChIKeyFNIDHWWRJWFRHO-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.79
Rot. Bonds6

About 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide (PubChem CID 43416214) has the molecular formula C8H13N5O2S and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
PubChem CID43416214
Molecular FormulaC8H13N5O2S
Molecular Weight243.29 g/mol
Exact Mass243.08
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide
SMILESO=C(CSc1nnnn1C1CC1)NCCO
InChIInChI=1S/C8H13N5O2S/c14-4-3-9-7(15)5-16-8-10-11-12-13(8)6-1-2-6/h6,14H,1-5H2,(H,9,15)
InChIKeyFNIDHWWRJWFRHO-UHFFFAOYSA-N
XLogP-0.79
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide (CID 43416214) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide is O=C(CSc1nnnn1C1CC1)NCCO.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide?
The InChIKey is FNIDHWWRJWFRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2S/c14-4-3-9-7(15)5-16-8-10-11-12-13(8)6-1-2-6/h6,14H,1-5H2,(H,9,15).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide has a molecular weight of 243.29 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 43416214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).