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

C10H17N5OS — CID 864617

IUPACN-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C10H17N5OS/c1-15-10(12-13-14-15)17-7-9(16)11-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,16)
InChIKeyJYNNXRDUMVRCEY-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.75
Rot. Bonds4

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

N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 864617) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID864617
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC NameN-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C10H17N5OS/c1-15-10(12-13-14-15)17-7-9(16)11-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,16)
InChIKeyJYNNXRDUMVRCEY-UHFFFAOYSA-N
XLogP0.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 861211
2-(1-Butyl-1H-tetrazol-5-ylsulfanyl)-N-cyclohexyl-acetamide
CID 3212939
N-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 16339977
N-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2338857
N,N-Dicyclohexyl-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 645796
N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855555
N-Cyclopentyl-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452242
N-Cyclopentyl-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452344
N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3314638
N-(cyclohexylcarbamoyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4881534
N-(4-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 16305128
N-(2,3-dimethylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2999200

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 864617) is N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JYNNXRDUMVRCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-15-10(12-13-14-15)17-7-9(16)11-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,16).
What are the key properties of N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 255.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 864617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).