2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone

C12H22N2O2S — CID 66548667

IUPAC2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone
SMILESO=C(CNC1CCC(O)CC1)N1CCSCC1
InChIInChI=1S/C12H22N2O2S/c15-11-3-1-10(2-4-11)13-9-12(16)14-5-7-17-8-6-14/h10-11,13,15H,1-9H2
InChIKeyMHHHGNWHHIICCQ-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.45
Rot. Bonds3

About 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone

2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone (PubChem CID 66548667) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone
PubChem CID66548667
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone
SMILESO=C(CNC1CCC(O)CC1)N1CCSCC1
InChIInChI=1S/C12H22N2O2S/c15-11-3-1-10(2-4-11)13-9-12(16)14-5-7-17-8-6-14/h10-11,13,15H,1-9H2
InChIKeyMHHHGNWHHIICCQ-UHFFFAOYSA-N
XLogP0.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(cyclopropylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615447
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
2-(cyclopentylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 94896155
1-pyrrolidin-1-yl-2-[[(1S,3S)-3-(1,3-thiazolidin-3-ylmethyl)cyclopentyl]amino]ethanone
CID 141144239
[(2S)-1-[2-[(4-hydroxycyclohexyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
CID 11402969
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 93300981
4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidine-1-carboxamide
CID 113352679
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(thian-4-ylamino)ethanone
CID 119129133
2-[(4-ethylcyclohexyl)amino]-1-morpholin-4-ylethanone
CID 60977351

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone (CID 66548667) is 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone is O=C(CNC1CCC(O)CC1)N1CCSCC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone?
The InChIKey is MHHHGNWHHIICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c15-11-3-1-10(2-4-11)13-9-12(16)14-5-7-17-8-6-14/h10-11,13,15H,1-9H2.
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone?
2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone has a molecular weight of 258.39 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 66548667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).