N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide

C10H17N5OS — CID 94119922

IUPACN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCSCC1)c1nncn1C
InChIInChI=1S/C10H17N5OS/c1-8(9-13-11-7-14(9)2)12-10(16)15-3-5-17-6-4-15/h7-8H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyXQWJSURKNJNCMC-QMMMGPOBSA-N
MW255.35 g/mol
LogP0.63
Rot. Bonds2

About N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide

N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide (PubChem CID 94119922) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
PubChem CID94119922
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC NameN-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCSCC1)c1nncn1C
InChIInChI=1S/C10H17N5OS/c1-8(9-13-11-7-14(9)2)12-10(16)15-3-5-17-6-4-15/h7-8H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1
InChIKeyXQWJSURKNJNCMC-QMMMGPOBSA-N
XLogP0.63
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 97089842
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]thiomorpholine-4-carboxamide
CID 122562432
4-(2-amino-2-oxoethyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
CID 71892968
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084695
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 94120064
4-(2-adamantyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 126430293
N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94119889
4-(4-methoxyphenyl)-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 95126891
4-(4-methoxyphenyl)-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 95126890
1-tert-butyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 115585810
4-[(2-fluorophenyl)methyl]-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 94120086
3-ethyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147886

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide (CID 94119922) is N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide is C[C@H](NC(=O)N1CCSCC1)c1nncn1C.
What is the InChIKey of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide?
The InChIKey is XQWJSURKNJNCMC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-8(9-13-11-7-14(9)2)12-10(16)15-3-5-17-6-4-15/h7-8H,3-6H2,1-2H3,(H,12,16)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide?
N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide has a molecular weight of 255.35 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 94119922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).