N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide

C12H19NO4S2 — CID 106298861

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2(CO)CCOCC2)c(C)s1
InChIInChI=1S/C12H19NO4S2/c1-9-7-11(10(2)18-9)19(15,16)13-12(8-14)3-5-17-6-4-12/h7,13-14H,3-6,8H2,1-2H3
InChIKeyTVEMYAKYSCTKRK-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.18
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide

N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide (PubChem CID 106298861) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
PubChem CID106298861
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2(CO)CCOCC2)c(C)s1
InChIInChI=1S/C12H19NO4S2/c1-9-7-11(10(2)18-9)19(15,16)13-12(8-14)3-5-17-6-4-12/h7,13-14H,3-6,8H2,1-2H3
InChIKeyTVEMYAKYSCTKRK-UHFFFAOYSA-N
XLogP1.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide
CID 106296774
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
1-[(2,5-dimethylthiophen-3-yl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 43238264
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 106298863
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid
CID 106297009
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
3-amino-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzenesulfonamide
CID 106296764
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106296782
3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide (CID 106298861) is N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide is Cc1cc(S(=O)(=O)NC2(CO)CCOCC2)c(C)s1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide?
The InChIKey is TVEMYAKYSCTKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-9-7-11(10(2)18-9)19(15,16)13-12(8-14)3-5-17-6-4-12/h7,13-14H,3-6,8H2,1-2H3.
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide has a molecular weight of 305.42 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide is sourced from PubChem (CID 106298861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).