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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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).