(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide

C10H18N2O2S — CID 119290243

IUPAC(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CSCN1
InChIInChI=1S/C10H18N2O2S/c13-10(9-6-15-7-12-9)11-5-8-1-3-14-4-2-8/h8-9,12H,1-7H2,(H,11,13)/t9-/m1/s1
InChIKeyNFCNNFYEJZDXLU-SECBINFHSA-N
MW230.33 g/mol
LogP0.19
Rot. Bonds3

About (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119290243) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID119290243
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCC1CCOCC1)[C@H]1CSCN1
InChIInChI=1S/C10H18N2O2S/c13-10(9-6-15-7-12-9)11-5-8-1-3-14-4-2-8/h8-9,12H,1-7H2,(H,11,13)/t9-/m1/s1
InChIKeyNFCNNFYEJZDXLU-SECBINFHSA-N
XLogP0.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-4-ylmethyl)azocane-2-carboxamide
CID 114240145
N-(oxan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 91659376
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854849
N-[(4-methylmorpholin-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 79081953
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61208333
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-thiazolidine-4-carboxamide
CID 63683998
N-[(2-hydroxycyclohexyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119330198
N-[2-(cyclopropylmethoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103795956
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
(2S)-N-(oxolan-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61179027
N-(2-methyl-2-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119830240

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 119290243) is (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCC1CCOCC1)[C@H]1CSCN1.
What is the InChIKey of (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NFCNNFYEJZDXLU-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O2S/c13-10(9-6-15-7-12-9)11-5-8-1-3-14-4-2-8/h8-9,12H,1-7H2,(H,11,13)/t9-/m1/s1.
What are the key properties of (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 230.33 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119290243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).