2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide

C15H24N2O3S3 — CID 86984290

IUPAC2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(N3CCOCC3)CCSC2)c(C)s1
InChIInChI=1S/C15H24N2O3S3/c1-12-9-14(13(2)22-12)23(18,19)16-10-15(3-8-21-11-15)17-4-6-20-7-5-17/h9,16H,3-8,10-11H2,1-2H3
InChIKeyPRSOVQNJHWULMV-UHFFFAOYSA-N
MW376.57 g/mol
LogP1.85
Rot. Bonds5

About 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide

2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide (PubChem CID 86984290) has the molecular formula C15H24N2O3S3 and a molecular weight of 376.57 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide
PubChem CID86984290
Molecular FormulaC15H24N2O3S3
Molecular Weight376.57 g/mol
Exact Mass376.09
IUPAC Name2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NCC2(N3CCOCC3)CCSC2)c(C)s1
InChIInChI=1S/C15H24N2O3S3/c1-12-9-14(13(2)22-12)23(18,19)16-10-15(3-8-21-11-15)17-4-6-20-7-5-17/h9,16H,3-8,10-11H2,1-2H3
InChIKeyPRSOVQNJHWULMV-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-(2-morpholin-4-ylethyl)thiophene-3-sulfonamide chloride
CID 53314568
4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
CID 78871065
N-[(1-aminocycloheptyl)methyl]-2,5-dimethylthiophene-3-sulfonamide;hydrochloride
CID 119998573
2-amino-2-methyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]propanamide
CID 119862763
5-methyl-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]pyrazine-2-carboxamide
CID 39155566
1-[[(2,5-dimethylthiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433168
N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 106298861
2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]guanidine;hydroiodide
CID 111897728
3-chloro-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyridin-4-amine
CID 71977840
1-(2,3-dimethylphenyl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]methanamine
CID 86843080
1,3-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-4-nitropyrazol-5-amine
CID 60502592
4-methoxy-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 112505089

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide (CID 86984290) is 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NCC2(N3CCOCC3)CCSC2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is PRSOVQNJHWULMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S3/c1-12-9-14(13(2)22-12)23(18,19)16-10-15(3-8-21-11-15)17-4-6-20-7-5-17/h9,16H,3-8,10-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide?
2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 376.57 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 86984290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).