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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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).