N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide

C13H22N2O2S — CID 59156745

IUPACN-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide
SMILESCCC(CN(C)C)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-11(10-15(2)3)12-6-8-13(9-7-12)14-18(4,16)17/h6-9,11,14H,5,10H2,1-4H3
InChIKeyMJXSGVAENKOWGZ-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.11
Rot. Bonds6

About N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide

N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide (PubChem CID 59156745) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide
PubChem CID59156745
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide
SMILESCCC(CN(C)C)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O2S/c1-5-11(10-15(2)3)12-6-8-13(9-7-12)14-18(4,16)17/h6-9,11,14H,5,10H2,1-4H3
InChIKeyMJXSGVAENKOWGZ-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide (CID 59156745) is N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide is CCC(CN(C)C)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide?
The InChIKey is MJXSGVAENKOWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-11(10-15(2)3)12-6-8-13(9-7-12)14-18(4,16)17/h6-9,11,14H,5,10H2,1-4H3.
What are the key properties of N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide?
N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(dimethylamino)butan-2-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 59156745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).