2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide

C14H27N3OS — CID 120704509

IUPAC2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCNCC(=O)NCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C14H27N3OS/c1-15-11-13(18)16-12-14(5-3-2-4-6-14)17-7-9-19-10-8-17/h15H,2-12H2,1H3,(H,16,18)
InChIKeyAMDJGCIDOXGSTD-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.07
Rot. Bonds5

About 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide

2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide (PubChem CID 120704509) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
PubChem CID120704509
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
SMILESCNCC(=O)NCC1(N2CCSCC2)CCCCC1
InChIInChI=1S/C14H27N3OS/c1-15-11-13(18)16-12-14(5-3-2-4-6-14)17-7-9-19-10-8-17/h15H,2-12H2,1H3,(H,16,18)
InChIKeyAMDJGCIDOXGSTD-UHFFFAOYSA-N
XLogP1.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 99807217
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
CID 61249197
1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 71985715
4-acetyl-N'-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119160236
2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
CID 99793014
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36554858
N-tert-butyl-2-[[N'-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]carbamimidoyl]amino]acetamide
CID 111383279
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682315
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide
CID 120941832
2-methyl-1-propyl-3-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111829013
4-methoxy-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119856169

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide (CID 120704509) is 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide is CNCC(=O)NCC1(N2CCSCC2)CCCCC1.
What is the InChIKey of 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is AMDJGCIDOXGSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-15-11-13(18)16-12-14(5-3-2-4-6-14)17-7-9-19-10-8-17/h15H,2-12H2,1H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide?
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 285.46 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 120704509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).