3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide

C12H24N2O2S — CID 123220197

IUPAC3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide
SMILESCC(=C(C)S(N)(=O)=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(11(2)17(13,15)16)14(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H2,13,15,16)
InChIKeyGIZKGADVRFQTKK-UHFFFAOYSA-N
MW260.40 g/mol
LogP2.04
Rot. Bonds4

About 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide

3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide (PubChem CID 123220197) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide.

Molecular Properties

Compound Name3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide
PubChem CID123220197
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide
SMILESCC(=C(C)S(N)(=O)=O)N(C)CC1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(11(2)17(13,15)16)14(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H2,13,15,16)
InChIKeyGIZKGADVRFQTKK-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide?
The IUPAC name of 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide (CID 123220197) is 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide.
What is the SMILES notation for 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide?
The canonical SMILES for 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide is CC(=C(C)S(N)(=O)=O)N(C)CC1CCCCC1.
What is the InChIKey of 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide?
The InChIKey is GIZKGADVRFQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(11(2)17(13,15)16)14(3)9-12-7-5-4-6-8-12/h12H,4-9H2,1-3H3,(H2,13,15,16).
What are the key properties of 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide?
3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide has a molecular weight of 260.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexylmethyl(methyl)amino]but-2-ene-2-sulfonamide is sourced from PubChem (CID 123220197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).