N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

C17H29N5O2S — CID 2952245

IUPACN-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC1CCCCC1NC(=O)CSc1nnc(CN2CCOCC2)n1C
InChIInChI=1S/C17H29N5O2S/c1-13-5-3-4-6-14(13)18-16(23)12-25-17-20-19-15(21(17)2)11-22-7-9-24-10-8-22/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyORBZXFKHWKXSGN-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.43
Rot. Bonds6

About N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2952245) has the molecular formula C17H29N5O2S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2952245
Molecular FormulaC17H29N5O2S
Molecular Weight367.52 g/mol
Exact Mass367.20
IUPAC NameN-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCC1CCCCC1NC(=O)CSc1nnc(CN2CCOCC2)n1C
InChIInChI=1S/C17H29N5O2S/c1-13-5-3-4-6-14(13)18-16(23)12-25-17-20-19-15(21(17)2)11-22-7-9-24-10-8-22/h13-14H,3-12H2,1-2H3,(H,18,23)
InChIKeyORBZXFKHWKXSGN-UHFFFAOYSA-N
XLogP1.43
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2952245) is N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is CC1CCCCC1NC(=O)CSc1nnc(CN2CCOCC2)n1C.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is ORBZXFKHWKXSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2S/c1-13-5-3-4-6-14(13)18-16(23)12-25-17-20-19-15(21(17)2)11-22-7-9-24-10-8-22/h13-14H,3-12H2,1-2H3,(H,18,23).
What are the key properties of N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 367.52 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2952245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).