3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine

C14H20ClN3OS — CID 71977840

IUPAC3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine
SMILESClc1cnccc1NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C14H20ClN3OS/c15-12-9-16-3-1-13(12)17-10-14(2-8-20-11-14)18-4-6-19-7-5-18/h1,3,9H,2,4-8,10-11H2,(H,16,17)
InChIKeyWKLXDZSWUIXDBY-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.35
Rot. Bonds4

About 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine

3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine (PubChem CID 71977840) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine
PubChem CID71977840
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine
SMILESClc1cnccc1NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C14H20ClN3OS/c15-12-9-16-3-1-13(12)17-10-14(2-8-20-11-14)18-4-6-19-7-5-18/h1,3,9H,2,4-8,10-11H2,(H,16,17)
InChIKeyWKLXDZSWUIXDBY-UHFFFAOYSA-N
XLogP2.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one
CID 60502593
8-bromo-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]quinolin-4-amine
CID 133284015
N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine
CID 97341942
4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
CID 78871065
4-chloro-2-(2,4-difluorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one
CID 55827216
5-fluoro-2-[(3-morpholin-4-ylthiolan-3-yl)methylamino]benzonitrile
CID 56786379
4-[[(3-chloro-4-pyridinyl)amino]methyl]oxane-4-carboxamide
CID 84595497
1-[(2-chlorophenyl)methyl]-2-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine
CID 111174292
6-bromo-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]quinazolin-4-amine
CID 87021044
N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]-7H-purin-6-amine
CID 94032387
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide
CID 86984290
6-(3-methylpyrazol-1-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridazin-3-amine
CID 133291359

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine (CID 71977840) is 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine is Clc1cnccc1NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine?
The InChIKey is WKLXDZSWUIXDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3OS/c15-12-9-16-3-1-13(12)17-10-14(2-8-20-11-14)18-4-6-19-7-5-18/h1,3,9H,2,4-8,10-11H2,(H,16,17).
What are the key properties of 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine?
3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine has a molecular weight of 313.85 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 71977840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).