N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide

C17H23N5O2S — CID 6489568

IUPACN-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESCn1c(CCNC(=O)N2CCOCC2)nnc1SCc1ccccc1
InChIInChI=1S/C17H23N5O2S/c1-21-15(7-8-18-16(23)22-9-11-24-12-10-22)19-20-17(21)25-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,18,23)
InChIKeyKKPPCCSMZHATPB-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.69
Rot. Bonds6

About N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide

N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide (PubChem CID 6489568) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
PubChem CID6489568
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC NameN-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide
SMILESCn1c(CCNC(=O)N2CCOCC2)nnc1SCc1ccccc1
InChIInChI=1S/C17H23N5O2S/c1-21-15(7-8-18-16(23)22-9-11-24-12-10-22)19-20-17(21)25-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,18,23)
InChIKeyKKPPCCSMZHATPB-UHFFFAOYSA-N
XLogP1.69
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]oxolane-2-carboxamide
CID 7451478
N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 6489485
2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 838604
N-[2-[4-methyl-5-(2-morpholin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]furan-2-carboxamide
CID 26396980
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-ylethanone
CID 1451285
N-[2-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylacetamide
CID 26359731
2-[(3R)-3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]-1-morpholin-4-ylethanone
CID 7451112
N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 6489540
N-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-2-methylpropanamide
CID 58676321
N-[4-(2-phenylethylcarbamoylamino)cyclohexyl]morpholine-4-carboxamide
CID 23766297
2-[[4-methyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone
CID 838605

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide (CID 6489568) is N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide is Cn1c(CCNC(=O)N2CCOCC2)nnc1SCc1ccccc1.
What is the InChIKey of N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is KKPPCCSMZHATPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-21-15(7-8-18-16(23)22-9-11-24-12-10-22)19-20-17(21)25-13-14-5-3-2-4-6-14/h2-6H,7-13H2,1H3,(H,18,23).
What are the key properties of N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide?
N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 6489568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).