N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide

C14H22N2O2S2 — CID 62145160

IUPACN-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C2CCSC2)cc1
InChIInChI=1S/C14H22N2O2S2/c1-3-9-15-12-4-6-14(7-5-12)20(17,18)16(2)13-8-10-19-11-13/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyAFVNZHJSNYUDCF-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.63
Rot. Bonds6

About N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide

N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 62145160) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID62145160
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(C)C2CCSC2)cc1
InChIInChI=1S/C14H22N2O2S2/c1-3-9-15-12-4-6-14(7-5-12)20(17,18)16(2)13-8-10-19-11-13/h4-7,13,15H,3,8-11H2,1-2H3
InChIKeyAFVNZHJSNYUDCF-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(methylamino)-N-(thiolan-3-yl)benzenesulfonamide
CID 43296997
N-methyl-N-(oxolan-3-yl)-4-(propylamino)benzenesulfonamide
CID 82744052
N-(1-cyclopropylethyl)-N-methyl-4-(propylamino)benzenesulfonamide
CID 62145589
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 62151171
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
3-[4-[methyl(thiolan-3-yl)sulfamoyl]phenyl]propanoic acid
CID 43296561
2-[4-[methyl(thiolan-3-yl)sulfamoyl]phenoxy]acetic acid
CID 43296540
3-[1-(ethylamino)ethyl]-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 43507113
N-cyclopropyl-N-ethyl-4-(ethylamino)benzenesulfonamide
CID 62143418
4-(aminomethyl)-2-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 79187466
4-chloro-3-(chloromethyl)-5-fluoro-N-methyl-N-(thiolan-3-yl)benzenesulfonamide
CID 81457451
N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62977988

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide (CID 62145160) is N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide is CCCNc1ccc(S(=O)(=O)N(C)C2CCSC2)cc1.
What is the InChIKey of N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is AFVNZHJSNYUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-3-9-15-12-4-6-14(7-5-12)20(17,18)16(2)13-8-10-19-11-13/h4-7,13,15H,3,8-11H2,1-2H3.
What are the key properties of N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide?
N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propylamino)-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 62145160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).