2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide

C19H34N2OS — CID 99793014

IUPAC2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
SMILESC[C@@H]1CCC[C@H](CC(=O)NCC2(N3CCSCC3)CCCC2)C1
InChIInChI=1S/C19H34N2OS/c1-16-5-4-6-17(13-16)14-18(22)20-15-19(7-2-3-8-19)21-9-11-23-12-10-21/h16-17H,2-15H2,1H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyRKPTXYMUJQEMHJ-SJORKVTESA-N
MW338.56 g/mol
LogP3.68
Rot. Bonds5

About 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide

2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide (PubChem CID 99793014) has the molecular formula C19H34N2OS and a molecular weight of 338.56 g/mol. Its IUPAC name is 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
PubChem CID99793014
Molecular FormulaC19H34N2OS
Molecular Weight338.56 g/mol
Exact Mass338.24
IUPAC Name2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide
SMILESC[C@@H]1CCC[C@H](CC(=O)NCC2(N3CCSCC3)CCCC2)C1
InChIInChI=1S/C19H34N2OS/c1-16-5-4-6-17(13-16)14-18(22)20-15-19(7-2-3-8-19)21-9-11-23-12-10-21/h16-17H,2-15H2,1H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyRKPTXYMUJQEMHJ-SJORKVTESA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-[(1S,3S)-3-methylcyclohexyl]acetamide
CID 99809445
N-[(1-hydroxycyclobutyl)methyl]-2-(3-methylcyclohexyl)acetamide
CID 111463205
1-cyclobutyl-1-methyl-3-[(1-thiomorpholin-4-ylcyclopentyl)methyl]urea
CID 71985715
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
N-[2-(ethylamino)ethyl]-2-(3-methylcyclohexyl)acetamide
CID 119507538
N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119887107
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682315
(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 99807217
4-(4-methylphenyl)-4-oxo-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]butanamide
CID 36554858
N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119856145
N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119935290
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide (CID 99793014) is 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide is C[C@@H]1CCC[C@H](CC(=O)NCC2(N3CCSCC3)CCCC2)C1.
What is the InChIKey of 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide?
The InChIKey is RKPTXYMUJQEMHJ-SJORKVTESA-N. The full InChI is InChI=1S/C19H34N2OS/c1-16-5-4-6-17(13-16)14-18(22)20-15-19(7-2-3-8-19)21-9-11-23-12-10-21/h16-17H,2-15H2,1H3,(H,20,22)/t16-,17+/m1/s1.
What are the key properties of 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide?
2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide has a molecular weight of 338.56 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-methylcyclohexyl]-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 99793014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).