N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

C13H23N5OS — CID 1440834

IUPACN-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C13H23N5OS/c1-13(2,3)14-11(19)9-20-12-15-16-17-18(12)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,19)
InChIKeyUGUWIKKJYFVQQV-UHFFFAOYSA-N
MW297.43 g/mol
LogP2.19
Rot. Bonds4

About N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide

N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1440834) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
PubChem CID1440834
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC NameN-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nnnn1C1CCCCC1
InChIInChI=1S/C13H23N5OS/c1-13(2,3)14-11(19)9-20-12-15-16-17-18(12)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,19)
InChIKeyUGUWIKKJYFVQQV-UHFFFAOYSA-N
XLogP2.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide (CID 1440834) is N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is CC(C)(C)NC(=O)CSc1nnnn1C1CCCCC1.
What is the InChIKey of N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is UGUWIKKJYFVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-13(2,3)14-11(19)9-20-12-15-16-17-18(12)10-7-5-4-6-8-10/h10H,4-9H2,1-3H3,(H,14,19).
What are the key properties of N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide?
N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 297.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1440834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).