N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide

C12H23N5O2S — CID 154607680

IUPACN-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CSC1NCNN1
InChIInChI=1S/C12H23N5O2S/c1-8-4-2-3-5-9(8)15-11(19)16-10(18)6-20-12-13-7-14-17-12/h8-9,12-14,17H,2-7H2,1H3,(H2,15,16,18,19)
InChIKeySLLVXXGMFCSLAH-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.06
Rot. Bonds4

About N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide

N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide (PubChem CID 154607680) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide
PubChem CID154607680
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CSC1NCNN1
InChIInChI=1S/C12H23N5O2S/c1-8-4-2-3-5-9(8)15-11(19)16-10(18)6-20-12-13-7-14-17-12/h8-9,12-14,17H,2-7H2,1H3,(H2,15,16,18,19)
InChIKeySLLVXXGMFCSLAH-UHFFFAOYSA-N
XLogP0.06
TPSA94.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706857
2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11924446
2-[cyanomethyl(methyl)amino]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 60616778
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 9318254
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8630507
3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
2-[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 100907056
2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 11934468
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8787455
2-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 96538170
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145941

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide?
The IUPAC name of N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide (CID 154607680) is N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide is CC1CCCCC1NC(=O)NC(=O)CSC1NCNN1.
What is the InChIKey of N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide?
The InChIKey is SLLVXXGMFCSLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-8-4-2-3-5-9(8)15-11(19)16-10(18)6-20-12-13-7-14-17-12/h8-9,12-14,17H,2-7H2,1H3,(H2,15,16,18,19).
What are the key properties of N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide?
N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide has a molecular weight of 301.42 g/mol, XLogP of 0.06, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)carbamoyl]-2-(1,2,4-triazolidin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 154607680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).