N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide

C12H23N3O2S — CID 94698179

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)C1(C#N)CCN(C)CC1
InChIInChI=1S/C12H23N3O2S/c1-4-5-10-18(16,17)15(3)12(11-13)6-8-14(2)9-7-12/h4-10H2,1-3H3
InChIKeyQCZOTPYZLWIUEZ-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.04
Rot. Bonds5

About N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide

N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide (PubChem CID 94698179) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide
PubChem CID94698179
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(C)C1(C#N)CCN(C)CC1
InChIInChI=1S/C12H23N3O2S/c1-4-5-10-18(16,17)15(3)12(11-13)6-8-14(2)9-7-12/h4-10H2,1-3H3
InChIKeyQCZOTPYZLWIUEZ-UHFFFAOYSA-N
XLogP1.04
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide (CID 94698179) is N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide is CCCCS(=O)(=O)N(C)C1(C#N)CCN(C)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide?
The InChIKey is QCZOTPYZLWIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-5-10-18(16,17)15(3)12(11-13)6-8-14(2)9-7-12/h4-10H2,1-3H3.
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide?
N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 94698179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).