N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide

C14H18N2OS — CID 23790831

IUPACN-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCSCC1
InChIInChI=1S/C14H18N2OS/c17-14(16-6-8-18-9-7-16)15-13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)
InChIKeyGRZLBXFTNKIAPW-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.30
Rot. Bonds2

About N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide

N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide (PubChem CID 23790831) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
PubChem CID23790831
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCSCC1
InChIInChI=1S/C14H18N2OS/c17-14(16-6-8-18-9-7-16)15-13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17)
InChIKeyGRZLBXFTNKIAPW-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 60586425
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
4-(4-hydroxybenzoyl)-N-[(1R,2R)-2-phenylcyclopropyl]piperazine-1-carboxamide
CID 95196037
N-[(1R,2S)-2-phenylcyclopropyl]-4-(sulfamoylmethyl)piperidine-1-carboxamide
CID 100728242
(2S)-2-cyano-N-[(1R,2S)-2-phenylcyclopropyl]morpholine-4-carboxamide
CID 129345423
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-methyl-3-[(2-phenylcyclopropyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780462
6-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 44583234
6-fluoro-N-(2-phenylcyclopropyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxamide
CID 75051608
(2R,4R)-4-hydroxy-1-[(2-phenylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79000486
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide?
The IUPAC name of N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide (CID 23790831) is N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide?
The canonical SMILES for N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide is O=C(NC1CC1c1ccccc1)N1CCSCC1.
What is the InChIKey of N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide?
The InChIKey is GRZLBXFTNKIAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-14(16-6-8-18-9-7-16)15-13-10-12(13)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,15,17).
What are the key properties of N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide?
N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)thiomorpholine-4-carboxamide is sourced from PubChem (CID 23790831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).