N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide

C11H22N2O2S — CID 75498932

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NC(C)(C)CO)N1CCSCC1
InChIInChI=1S/C11H22N2O2S/c1-9(13-4-6-16-7-5-13)10(15)12-11(2,3)8-14/h9,14H,4-8H2,1-3H3,(H,12,15)
InChIKeyIFWCMERIHHKRSA-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.31
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide (PubChem CID 75498932) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide
PubChem CID75498932
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NC(C)(C)CO)N1CCSCC1
InChIInChI=1S/C11H22N2O2S/c1-9(13-4-6-16-7-5-13)10(15)12-11(2,3)8-14/h9,14H,4-8H2,1-3H3,(H,12,15)
InChIKeyIFWCMERIHHKRSA-UHFFFAOYSA-N
XLogP0.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
2-(2,2-dimethylthiomorpholin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 116406131
4-(1-Hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one
CID 12581006
(2S)-2-(3-hydroxypropylamino)-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 66545989
(2S)-2-[(3-hydroxy-2,2-dimethylpropyl)amino]-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 66545991
(2S)-2-(3-hydroxypropylamino)-3-methyl-1-thiomorpholin-4-ylbutan-1-one
CID 66546179
N-[(2R)-1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]acetamide
CID 140431412
N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide
CID 4729219
N-tert-butyl-2-thiomorpholin-4-ylpropanamide
CID 53522571
2-tert-butylsulfanyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)acetamide
CID 60600164
N-tert-butyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60677456
N-(2-hydroxyethyl)-2-(3-methylthiomorpholin-4-yl)acetamide
CID 64053185

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide (CID 75498932) is N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide is CC(C(=O)NC(C)(C)CO)N1CCSCC1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide?
The InChIKey is IFWCMERIHHKRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-9(13-4-6-16-7-5-13)10(15)12-11(2,3)8-14/h9,14H,4-8H2,1-3H3,(H,12,15).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide has a molecular weight of 246.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 75498932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).