N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide

C13H21N3O2S — CID 82908203

IUPACN-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)C1CSCCN1
InChIInChI=1S/C13H21N3O2S/c17-12(15-9-3-4-9)11-2-1-6-16(11)13(18)10-8-19-7-5-14-10/h9-11,14H,1-8H2,(H,15,17)
InChIKeyQTUAUFAHFGZQLZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP-0.04
Rot. Bonds3

About N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide

N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 82908203) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID82908203
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)C1CSCCN1
InChIInChI=1S/C13H21N3O2S/c17-12(15-9-3-4-9)11-2-1-6-16(11)13(18)10-8-19-7-5-14-10/h9-11,14H,1-8H2,(H,15,17)
InChIKeyQTUAUFAHFGZQLZ-UHFFFAOYSA-N
XLogP-0.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-cyclopropyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93369523
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(thiomorpholin-3-yl)methanone
CID 82916769
1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61158601
(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 60939361
N-cyclopropyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120622961
N-(4-methylcyclohexyl)thiomorpholine-3-carboxamide
CID 82905560
(2-methylazepan-1-yl)-thiomorpholin-3-ylmethanone
CID 82916755
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-thiomorpholin-3-ylmethanone
CID 82908167
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
(2S)-N-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 93376645

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide (CID 82908203) is N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)C1CSCCN1.
What is the InChIKey of N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is QTUAUFAHFGZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-12(15-9-3-4-9)11-2-1-6-16(11)13(18)10-8-19-7-5-14-10/h9-11,14H,1-8H2,(H,15,17).
What are the key properties of N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide?
N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 82908203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).