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

C9H15N5O2S — CID 43419091

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H15N5O2S/c1-6(4-15)10-8(16)5-17-9-11-12-13-14(9)7-2-3-7/h6-7,15H,2-5H2,1H3,(H,10,16)
InChIKeyBLJSLUSQUOGJKX-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.40
Rot. Bonds6

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

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide (PubChem CID 43419091) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
PubChem CID43419091
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
SMILESCC(CO)NC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H15N5O2S/c1-6(4-15)10-8(16)5-17-9-11-12-13-14(9)7-2-3-7/h6-7,15H,2-5H2,1H3,(H,10,16)
InChIKeyBLJSLUSQUOGJKX-UHFFFAOYSA-N
XLogP-0.40
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.40
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-hydroxypropan-2-yl)acetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide (CID 43419091) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide is CC(CO)NC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide?
The InChIKey is BLJSLUSQUOGJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-6(4-15)10-8(16)5-17-9-11-12-13-14(9)7-2-3-7/h6-7,15H,2-5H2,1H3,(H,10,16).
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide has a molecular weight of 257.32 g/mol, XLogP of -0.40, 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-(1-hydroxypropan-2-yl)acetamide is sourced from PubChem (CID 43419091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).