4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide

C12H20N2O2S2 — CID 61299596

IUPAC4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H20N2O2S2/c1-9-3-5-11(6-4-9)14(2)18(15,16)12-7-10(13)8-17-12/h7-9,11H,3-6,13H2,1-2H3
InChIKeyWDWQFTYHIDWVBN-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.53
Rot. Bonds3

About 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide

4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide (PubChem CID 61299596) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide
PubChem CID61299596
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC Name4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide
SMILESCC1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1
InChIInChI=1S/C12H20N2O2S2/c1-9-3-5-11(6-4-9)14(2)18(15,16)12-7-10(13)8-17-12/h7-9,11H,3-6,13H2,1-2H3
InChIKeyWDWQFTYHIDWVBN-UHFFFAOYSA-N
XLogP2.53
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide?
The IUPAC name of 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide (CID 61299596) is 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide is CC1CCC(N(C)S(=O)(=O)c2cc(N)cs2)CC1.
What is the InChIKey of 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide?
The InChIKey is WDWQFTYHIDWVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9-3-5-11(6-4-9)14(2)18(15,16)12-7-10(13)8-17-12/h7-9,11H,3-6,13H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide?
4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(4-methylcyclohexyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61299596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).