N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide

C12H24N2O2S — CID 111507324

IUPACN-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCSCC1
InChIInChI=1S/C12H24N2O2S/c1-10(15)8-12(2,3)9-13-11(16)14-4-6-17-7-5-14/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyZJMZEOPYSWKTBA-UHFFFAOYSA-N
MW260.40 g/mol
LogP1.54
Rot. Bonds4

About N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide (PubChem CID 111507324) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
PubChem CID111507324
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCSCC1
InChIInChI=1S/C12H24N2O2S/c1-10(15)8-12(2,3)9-13-11(16)14-4-6-17-7-5-14/h10,15H,4-9H2,1-3H3,(H,13,16)
InChIKeyZJMZEOPYSWKTBA-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507298
N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide
CID 130616990
4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507440
N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279
N-(4-hydroxy-2,2-dimethylpentyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 111507523
N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 111507302
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 111507311
N-(4-hydroxy-2,2-dimethylpentyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
CID 111619014
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 111507374
N-(4-hydroxy-2,2-dimethylpentyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 111507564
N-(4-hydroxy-2,2-dimethylpentyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 111507392

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide (CID 111507324) is N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide is CC(O)CC(C)(C)CNC(=O)N1CCSCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide?
The InChIKey is ZJMZEOPYSWKTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(15)8-12(2,3)9-13-11(16)14-4-6-17-7-5-14/h10,15H,4-9H2,1-3H3,(H,13,16).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide has a molecular weight of 260.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 111507324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).