N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide

C11H17N3OS — CID 82909072

IUPACN-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide
SMILESN#CCCN(C(=O)C1CSCCN1)C1CC1
InChIInChI=1S/C11H17N3OS/c12-4-1-6-14(9-2-3-9)11(15)10-8-16-7-5-13-10/h9-10,13H,1-3,5-8H2
InChIKeyHCCIIVKULDPQGW-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.60
Rot. Bonds4

About N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide

N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide (PubChem CID 82909072) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide
PubChem CID82909072
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide
SMILESN#CCCN(C(=O)C1CSCCN1)C1CC1
InChIInChI=1S/C11H17N3OS/c12-4-1-6-14(9-2-3-9)11(15)10-8-16-7-5-13-10/h9-10,13H,1-3,5-8H2
InChIKeyHCCIIVKULDPQGW-UHFFFAOYSA-N
XLogP0.60
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 61157251
N-(2-cyanoethyl)-N-cyclopropylazepane-2-carboxamide
CID 64563457
N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82908541
N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
CID 61039700
N-cyclopropyl-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 43579611
(3R)-N-(2-cyanoethyl)-N-cyclopropyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61157625
(2S)-N,N-bis(2-cyanoethyl)pyrrolidine-2-carboxamide
CID 61164015
2-[cyclopropyl(1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 61161099
2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61038565
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylpropanamide
CID 61266827
N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
CID 82909487
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide (CID 82909072) is N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide is N#CCCN(C(=O)C1CSCCN1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide?
The InChIKey is HCCIIVKULDPQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c12-4-1-6-14(9-2-3-9)11(15)10-8-16-7-5-13-10/h9-10,13H,1-3,5-8H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide?
N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide is sourced from PubChem (CID 82909072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).