(3R)-thiomorpholine-3-carboxamide

C5H10N2OS — CID 41097978

IUPAC(3R)-thiomorpholine-3-carboxamide
SMILESNC(=O)[C@@H]1CSCCN1
InChIInChI=1S/C5H10N2OS/c6-5(8)4-3-9-2-1-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
InChIKeyWTBJIFNMKOKRJX-BYPYZUCNSA-N
MW146.22 g/mol
LogP-0.82
Rot. Bonds1

About (3R)-thiomorpholine-3-carboxamide

(3R)-thiomorpholine-3-carboxamide (PubChem CID 41097978) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is (3R)-thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-thiomorpholine-3-carboxamide
PubChem CID41097978
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name(3R)-thiomorpholine-3-carboxamide
SMILESNC(=O)[C@@H]1CSCCN1
InChIInChI=1S/C5H10N2OS/c6-5(8)4-3-9-2-1-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
InChIKeyWTBJIFNMKOKRJX-BYPYZUCNSA-N
XLogP-0.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

thiomorpholine-3-carbohydrazide
CID 14045872
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
cycloheptyl(thiomorpholin-3-yl)methanone
CID 116609701
N-[4-(carbamoylamino)phenyl]thiomorpholine-3-carboxamide
CID 82909460
N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82906208
cyclopentylmethyl thiomorpholine-3-carboxylate
CID 82905179
cyclopentyl thiomorpholine-3-carboxylate
CID 82904457
2-ethoxyethyl thiomorpholine-3-carboxylate
CID 82904613
1-thiomorpholin-3-ylpent-4-yn-1-one
CID 116609650
N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
2-(thiomorpholine-3-carbonylamino)butanoic acid
CID 82908141
pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458

Frequently Asked Questions

What is the IUPAC name of (3R)-thiomorpholine-3-carboxamide?
The IUPAC name of (3R)-thiomorpholine-3-carboxamide (CID 41097978) is (3R)-thiomorpholine-3-carboxamide.
What is the SMILES notation for (3R)-thiomorpholine-3-carboxamide?
The canonical SMILES for (3R)-thiomorpholine-3-carboxamide is NC(=O)[C@@H]1CSCCN1.
What is the InChIKey of (3R)-thiomorpholine-3-carboxamide?
The InChIKey is WTBJIFNMKOKRJX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2OS/c6-5(8)4-3-9-2-1-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1.
What are the key properties of (3R)-thiomorpholine-3-carboxamide?
(3R)-thiomorpholine-3-carboxamide has a molecular weight of 146.22 g/mol, XLogP of -0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-thiomorpholine-3-carboxamide is sourced from PubChem (CID 41097978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).