N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide

C16H23N3O2S — CID 134584192

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)N1CCSCC1
InChIInChI=1S/C16H23N3O2S/c20-16(19-7-11-22-12-8-19)17-15-3-1-14(2-4-15)13-18-5-9-21-10-6-18/h1-4H,5-13H2,(H,17,20)
InChIKeyGHNFWQHUYVSXOG-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.10
Rot. Bonds3

About N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide (PubChem CID 134584192) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
PubChem CID134584192
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)N1CCSCC1
InChIInChI=1S/C16H23N3O2S/c20-16(19-7-11-22-12-8-19)17-15-3-1-14(2-4-15)13-18-5-9-21-10-6-18/h1-4H,5-13H2,(H,17,20)
InChIKeyGHNFWQHUYVSXOG-UHFFFAOYSA-N
XLogP2.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
CID 118776743
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-[4-(morpholin-4-ylmethyl)phenyl]thian-4-amine
CID 21192595
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
(3S)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-propoxypiperidine-1-carboxamide
CID 97443914
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78912261
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide (CID 134584192) is N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)N1CCSCC1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is GHNFWQHUYVSXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-16(19-7-11-22-12-8-19)17-15-3-1-14(2-4-15)13-18-5-9-21-10-6-18/h1-4H,5-13H2,(H,17,20).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 134584192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).