N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide

C16H26N2O2S — CID 10018300

IUPACN,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide
SMILESCCCN1CCC[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)C1
InChIInChI=1S/C16H26N2O2S/c1-4-10-18-11-6-8-15(13-18)14-7-5-9-16(12-14)21(19,20)17(2)3/h5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3/t15-/m1/s1
InChIKeyKXDIYSZQVVAYOA-OAHLLOKOSA-N
MW310.46 g/mol
LogP2.53
Rot. Bonds5

About N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide

N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide (PubChem CID 10018300) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide
PubChem CID10018300
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide
SMILESCCCN1CCC[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)C1
InChIInChI=1S/C16H26N2O2S/c1-4-10-18-11-6-8-15(13-18)14-7-5-9-16(12-14)21(19,20)17(2)3/h5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3/t15-/m1/s1
InChIKeyKXDIYSZQVVAYOA-OAHLLOKOSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide (CID 10018300) is N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide is CCCN1CCC[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)C1.
What is the InChIKey of N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide?
The InChIKey is KXDIYSZQVVAYOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-4-10-18-11-6-8-15(13-18)14-7-5-9-16(12-14)21(19,20)17(2)3/h5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide?
N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3S)-1-propylpiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 10018300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).