4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide

C16H23ClN2OS — CID 102563615

IUPAC4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2OS/c1-18(2)16(20)4-3-9-19-10-11-21-12-15(19)13-5-7-14(17)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyHMABMGIOZOVFSE-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.30
Rot. Bonds5

About 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide

4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide (PubChem CID 102563615) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide
PubChem CID102563615
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC Name4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN1CCSCC1c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2OS/c1-18(2)16(20)4-3-9-19-10-11-21-12-15(19)13-5-7-14(17)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyHMABMGIOZOVFSE-UHFFFAOYSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide
CID 99800071
(3S)-3-(4-chlorophenyl)-4-(4-methylsulfonylbutyl)thiomorpholine
CID 97064479
2-[4-[4-(dimethylamino)-4-oxobutyl]thiomorpholin-3-yl]acetic acid
CID 66444935
7-amino-1-[3-(4-chlorophenyl)thiomorpholin-4-yl]heptan-1-one;hydrochloride
CID 119793251
(3R)-3-(4-chlorophenyl)-4-[(3-methyltriazol-4-yl)methyl]thiomorpholine
CID 124516668
2-[3-(4-methylphenyl)thiomorpholin-4-yl]acetic acid
CID 119135595
2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide
CID 11471946
[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
CID 119329037
(3R)-3-(4-chlorophenyl)-4-(1H-imidazol-5-ylmethyl)thiomorpholine
CID 124516669
4-(4,6-dichloroindol-1-yl)-N,N-dimethylbutanamide
CID 103428177
5-[[3-(4-chlorophenyl)thiomorpholin-4-yl]methyl]-1,3-thiazol-2-amine
CID 120900764
4-[(4-chlorophenyl)methylamino]-N,N-dimethylbutanamide
CID 54941099

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide (CID 102563615) is 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCN1CCSCC1c1ccc(Cl)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide?
The InChIKey is HMABMGIOZOVFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2OS/c1-18(2)16(20)4-3-9-19-10-11-21-12-15(19)13-5-7-14(17)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide?
4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide has a molecular weight of 326.89 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)thiomorpholin-4-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 102563615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).