N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide

C8H16N2O2S — CID 130616990

IUPACN-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide
SMILESC[C@@H](O)CNC(=O)N1CCSCC1
InChIInChI=1S/C8H16N2O2S/c1-7(11)6-9-8(12)10-2-4-13-5-3-10/h7,11H,2-6H2,1H3,(H,9,12)/t7-/m1/s1
InChIKeyDCWROHIXQPEKHD-SSDOTTSWSA-N
MW204.29 g/mol
LogP0.13
Rot. Bonds2

About N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide

N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide (PubChem CID 130616990) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide
PubChem CID130616990
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC NameN-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide
SMILESC[C@@H](O)CNC(=O)N1CCSCC1
InChIInChI=1S/C8H16N2O2S/c1-7(11)6-9-8(12)10-2-4-13-5-3-10/h7,11H,2-6H2,1H3,(H,9,12)/t7-/m1/s1
InChIKeyDCWROHIXQPEKHD-SSDOTTSWSA-N
XLogP0.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 83039783
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
CID 111507324
N-[2-(2-hydroxypropylamino)ethyl]pyrrolidine-1-carboxamide
CID 104593868
N-(3-methylbutyl)-1,4-thiazepane-4-carboxamide
CID 86999010
N-[2-(2-hydroxypropylamino)ethyl]morpholine-4-carboxamide
CID 104593900
3-(thiomorpholine-4-carbonylamino)butanoic acid
CID 61200427
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742
N-(3-ethyl-2-morpholin-4-ylpentyl)-1,4-thiazepane-4-carboxamide
CID 87003452
3-(1,4-thiazepane-4-carbonylamino)butanoic acid
CID 61423085
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 126432703
N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941
N-(2-methylpropyl)-1,4-thiazepane-4-carbothioamide
CID 115587662

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide (CID 130616990) is N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide is C[C@@H](O)CNC(=O)N1CCSCC1.
What is the InChIKey of N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide?
The InChIKey is DCWROHIXQPEKHD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-7(11)6-9-8(12)10-2-4-13-5-3-10/h7,11H,2-6H2,1H3,(H,9,12)/t7-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide?
N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide has a molecular weight of 204.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxypropyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 130616990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).