3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline

C15H24N2O2S2 — CID 107328597

IUPAC3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline
SMILESCCCNc1cc(C)c(S(=O)(=O)N2CCSCC2)c(C)c1
InChIInChI=1S/C15H24N2O2S2/c1-4-5-16-14-10-12(2)15(13(3)11-14)21(18,19)17-6-8-20-9-7-17/h10-11,16H,4-9H2,1-3H3
InChIKeyPZYLDYDROARLDG-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.86
Rot. Bonds5

About 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline

3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline (PubChem CID 107328597) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline
PubChem CID107328597
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC Name3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline
SMILESCCCNc1cc(C)c(S(=O)(=O)N2CCSCC2)c(C)c1
InChIInChI=1S/C15H24N2O2S2/c1-4-5-16-14-10-12(2)15(13(3)11-14)21(18,19)17-6-8-20-9-7-17/h10-11,16H,4-9H2,1-3H3
InChIKeyPZYLDYDROARLDG-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107328540
[4-(azocan-1-ylsulfonyl)-3,5-dimethylphenyl]hydrazine
CID 107327752
N-[(3,4-difluoro-5-thiomorpholin-4-ylsulfonylphenyl)methyl]ethanamine
CID 105119204
4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine
CID 52821226
N-propyl-5-thiomorpholin-4-ylsulfonylimidazo[2,1-b][1,3]thiazol-6-amine
CID 62144057
[3,5-dimethyl-4-(3-propylpyrrolidin-1-yl)sulfonylphenyl]hydrazine
CID 107328129
N-[1-(4-thiomorpholin-4-ylsulfonylphenyl)ethyl]propan-1-amine
CID 43506982
3-nitro-N-propyl-5-thiomorpholin-4-ylaniline
CID 80764613
4-(4-methylpiperazin-1-yl)sulfonyl-N-propylaniline
CID 62148455
3-(4-methyl-3-thiomorpholin-4-ylsulfonylphenyl)prop-2-yn-1-ol
CID 60823863
(2-fluoro-3-methyl-5-thiomorpholin-4-ylsulfonylphenyl)methanol
CID 81435732
N,3,5-trimethyl-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 107328424

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline?
The IUPAC name of 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline (CID 107328597) is 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline.
What is the SMILES notation for 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline?
The canonical SMILES for 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline is CCCNc1cc(C)c(S(=O)(=O)N2CCSCC2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline?
The InChIKey is PZYLDYDROARLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-4-5-16-14-10-12(2)15(13(3)11-14)21(18,19)17-6-8-20-9-7-17/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline?
3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline has a molecular weight of 328.50 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-propyl-4-thiomorpholin-4-ylsulfonylaniline is sourced from PubChem (CID 107328597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).