N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide

C18H27N3OS — CID 126432703

IUPACN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)N1CCSCC1
InChIInChI=1S/C18H27N3OS/c22-18(21-11-13-23-14-12-21)19-15-17(16-7-3-1-4-8-16)20-9-5-2-6-10-20/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,19,22)/t17-/m1/s1
InChIKeyODLTVPDXCWDIMA-QGZVFWFLSA-N
MW333.50 g/mol
LogP2.97
Rot. Bonds4

About N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide

N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide (PubChem CID 126432703) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
PubChem CID126432703
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)N1CCSCC1
InChIInChI=1S/C18H27N3OS/c22-18(21-11-13-23-14-12-21)19-15-17(16-7-3-1-4-8-16)20-9-5-2-6-10-20/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,19,22)/t17-/m1/s1
InChIKeyODLTVPDXCWDIMA-QGZVFWFLSA-N
XLogP2.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-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

N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]thiomorpholine-4-carboxamide
CID 122563662
4-(4-hydroxyphenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 78834618
N-[(2R)-2-phenyl-2-piperidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperazine-1-carboxamide
CID 126429262
1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
2-(hydroxymethyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboxamide
CID 111427676
2-methyl-N-[2-phenyl-2-(1,4-thiazepan-4-yl)ethyl]propan-1-amine
CID 62412057
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 119831385

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide (CID 126432703) is N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide is O=C(NC[C@H](c1ccccc1)N1CCCCC1)N1CCSCC1.
What is the InChIKey of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide?
The InChIKey is ODLTVPDXCWDIMA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3OS/c22-18(21-11-13-23-14-12-21)19-15-17(16-7-3-1-4-8-16)20-9-5-2-6-10-20/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,19,22)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide?
N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 126432703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).