N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H19N5OS — CID 3314638

IUPACN-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC1CCCCC1NC(=O)CSc1nnnn1C
InChIInChI=1S/C11H19N5OS/c1-8-5-3-4-6-9(8)12-10(17)7-18-11-13-14-15-16(11)2/h8-9H,3-7H2,1-2H3,(H,12,17)
InChIKeyQHQFENIHCVYLCM-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.00
Rot. Bonds4

About N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 3314638) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID3314638
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC NameN-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC1CCCCC1NC(=O)CSc1nnnn1C
InChIInChI=1S/C11H19N5OS/c1-8-5-3-4-6-9(8)12-10(17)7-18-11-13-14-15-16(11)2/h8-9H,3-7H2,1-2H3,(H,12,17)
InChIKeyQHQFENIHCVYLCM-UHFFFAOYSA-N
XLogP1.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 3314638) is N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CC1CCCCC1NC(=O)CSc1nnnn1C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is QHQFENIHCVYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-8-5-3-4-6-9(8)12-10(17)7-18-11-13-14-15-16(11)2/h8-9H,3-7H2,1-2H3,(H,12,17).
What are the key properties of N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 3314638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).