(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide

C9H17N3O2S — CID 93356367

IUPAC(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)CCNC(=O)[C@H]1CSCN1
InChIInChI=1S/C9H17N3O2S/c1-12(2)8(13)3-4-10-9(14)7-5-15-6-11-7/h7,11H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1
InChIKeyJADCEDWVPXKFEP-SSDOTTSWSA-N
MW231.32 g/mol
LogP-0.76
Rot. Bonds4

About (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 93356367) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
PubChem CID93356367
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)CCNC(=O)[C@H]1CSCN1
InChIInChI=1S/C9H17N3O2S/c1-12(2)8(13)3-4-10-9(14)7-5-15-6-11-7/h7,11H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1
InChIKeyJADCEDWVPXKFEP-SSDOTTSWSA-N
XLogP-0.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119293605
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide
CID 62640959
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
N-(2-ethoxyethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280656
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
N-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119878784
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
CID 80539990

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide (CID 93356367) is (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)CCNC(=O)[C@H]1CSCN1.
What is the InChIKey of (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is JADCEDWVPXKFEP-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-12(2)8(13)3-4-10-9(14)7-5-15-6-11-7/h7,11H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1.
What are the key properties of (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 231.32 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 93356367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).