N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide

C16H30N2O2S — CID 86792246

IUPACN-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NC(C)(CO)C1CCCCC1)N1CCSCC1
InChIInChI=1S/C16H30N2O2S/c1-13(18-8-10-21-11-9-18)15(20)17-16(2,12-19)14-6-4-3-5-7-14/h13-14,19H,3-12H2,1-2H3,(H,17,20)
InChIKeyQQHWCOIFNDHVMW-UHFFFAOYSA-N
MW314.50 g/mol
LogP1.87
Rot. Bonds5

About N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide

N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide (PubChem CID 86792246) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide
PubChem CID86792246
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC NameN-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide
SMILESCC(C(=O)NC(C)(CO)C1CCCCC1)N1CCSCC1
InChIInChI=1S/C16H30N2O2S/c1-13(18-8-10-21-11-9-18)15(20)17-16(2,12-19)14-6-4-3-5-7-14/h13-14,19H,3-12H2,1-2H3,(H,17,20)
InChIKeyQQHWCOIFNDHVMW-UHFFFAOYSA-N
XLogP1.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide (CID 86792246) is N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide is CC(C(=O)NC(C)(CO)C1CCCCC1)N1CCSCC1.
What is the InChIKey of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide?
The InChIKey is QQHWCOIFNDHVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-13(18-8-10-21-11-9-18)15(20)17-16(2,12-19)14-6-4-3-5-7-14/h13-14,19H,3-12H2,1-2H3,(H,17,20).
What are the key properties of N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide?
N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide has a molecular weight of 314.50 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-1-hydroxypropan-2-yl)-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 86792246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).