N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C12H21N5OS — CID 2999200

IUPACN-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC1CCCC(NC(=O)CSc2nnnn2C)C1C
InChIInChI=1S/C12H21N5OS/c1-8-5-4-6-10(9(8)2)13-11(18)7-19-12-14-15-16-17(12)3/h8-10H,4-7H2,1-3H3,(H,13,18)
InChIKeyZMRNCTBRRWUBNX-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.24
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 2999200) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID2999200
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCC1CCCC(NC(=O)CSc2nnnn2C)C1C
InChIInChI=1S/C12H21N5OS/c1-8-5-4-6-10(9(8)2)13-11(18)7-19-12-14-15-16-17(12)3/h8-10H,4-7H2,1-3H3,(H,13,18)
InChIKeyZMRNCTBRRWUBNX-UHFFFAOYSA-N
XLogP1.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 2999200) is N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CC1CCCC(NC(=O)CSc2nnnn2C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is ZMRNCTBRRWUBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-8-5-4-6-10(9(8)2)13-11(18)7-19-12-14-15-16-17(12)3/h8-10H,4-7H2,1-3H3,(H,13,18).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 283.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 2999200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).