2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C11H19N5O2S — CID 43572935

IUPAC2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H19N5O2S/c1-8(2)15(5-6-17)10(18)7-19-11-12-13-14-16(11)9-3-4-9/h8-9,17H,3-7H2,1-2H3
InChIKeyVTLBXKUAKPZURW-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.33
Rot. Bonds7

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

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 43572935) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID43572935
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C11H19N5O2S/c1-8(2)15(5-6-17)10(18)7-19-11-12-13-14-16(11)9-3-4-9/h8-9,17H,3-7H2,1-2H3
InChIKeyVTLBXKUAKPZURW-UHFFFAOYSA-N
XLogP0.33
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.33
H-Bond Donors ≤ 51
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)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 43572935) is 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)CSc1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is VTLBXKUAKPZURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-8(2)15(5-6-17)10(18)7-19-11-12-13-14-16(11)9-3-4-9/h8-9,17H,3-7H2,1-2H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 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)-N-propan-2-ylacetamide is sourced from PubChem (CID 43572935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).