(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone

C12H22N2OS — CID 64550427

IUPAC(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
SMILESCC1CCCC(N)(C(=O)N2CCSCC2)C1
InChIInChI=1S/C12H22N2OS/c1-10-3-2-4-12(13,9-10)11(15)14-5-7-16-8-6-14/h10H,2-9,13H2,1H3
InChIKeyRIQXSUSLPVITHY-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.47
Rot. Bonds1

About (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone

(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone (PubChem CID 64550427) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
PubChem CID64550427
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
SMILESCC1CCCC(N)(C(=O)N2CCSCC2)C1
InChIInChI=1S/C12H22N2OS/c1-10-3-2-4-12(13,9-10)11(15)14-5-7-16-8-6-14/h10H,2-9,13H2,1H3
InChIKeyRIQXSUSLPVITHY-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-amino-3-methylcyclohexyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810951
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid
CID 64555062
(1-amino-3-methylcyclohexyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743669
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64552519
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625249
4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888929
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 64554425

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone (CID 64550427) is (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone is CC1CCCC(N)(C(=O)N2CCSCC2)C1.
What is the InChIKey of (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone?
The InChIKey is RIQXSUSLPVITHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-3-2-4-12(13,9-10)11(15)14-5-7-16-8-6-14/h10H,2-9,13H2,1H3.
What are the key properties of (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone?
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone has a molecular weight of 242.39 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 64550427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).