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

C10H17N5O2S — CID 43417895

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H17N5O2S/c1-2-7(5-16)11-9(17)6-18-10-12-13-14-15(10)8-3-4-8/h7-8,16H,2-6H2,1H3,(H,11,17)
InChIKeyDRTKABUNSTZEEG-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.01
Rot. Bonds7

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

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide (PubChem CID 43417895) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
PubChem CID43417895
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
SMILESCCC(CO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C10H17N5O2S/c1-2-7(5-16)11-9(17)6-18-10-12-13-14-15(10)8-3-4-8/h7-8,16H,2-6H2,1H3,(H,11,17)
InChIKeyDRTKABUNSTZEEG-UHFFFAOYSA-N
XLogP-0.01
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.01
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-(1-hydroxybutan-2-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide (CID 43417895) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide is CCC(CO)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
The InChIKey is DRTKABUNSTZEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-2-7(5-16)11-9(17)6-18-10-12-13-14-15(10)8-3-4-8/h7-8,16H,2-6H2,1H3,(H,11,17).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide has a molecular weight of 271.35 g/mol, XLogP of -0.01, 7 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-(1-hydroxybutan-2-yl)acetamide is sourced from PubChem (CID 43417895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).