3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride

C17H29ClN2O3S — CID 120720689

IUPAC3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2(C)CCCNC2)ccc1OC(C)C.Cl
InChIInChI=1S/C17H28N2O3S.ClH/c1-13(2)22-16-7-6-15(10-14(16)3)23(20,21)19-12-17(4)8-5-9-18-11-17;/h6-7,10,13,18-19H,5,8-9,11-12H2,1-4H3;1H
InChIKeyHPHRLGVFEDQMNB-UHFFFAOYSA-N
MW376.95 g/mol
LogP2.87
Rot. Bonds6

About 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride

3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride (PubChem CID 120720689) has the molecular formula C17H29ClN2O3S and a molecular weight of 376.95 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
PubChem CID120720689
Molecular FormulaC17H29ClN2O3S
Molecular Weight376.95 g/mol
Exact Mass376.16
IUPAC Name3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NCC2(C)CCCNC2)ccc1OC(C)C.Cl
InChIInChI=1S/C17H28N2O3S.ClH/c1-13(2)22-16-7-6-15(10-14(16)3)23(20,21)19-12-17(4)8-5-9-18-11-17;/h6-7,10,13,18-19H,5,8-9,11-12H2,1-4H3;1H
InChIKeyHPHRLGVFEDQMNB-UHFFFAOYSA-N
XLogP2.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-butan-2-yl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720830
4-tert-butyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720862
N-[(3-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120720704
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
4,5-dimethyl-N-[(3-methylpiperidin-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 120720759
5-chloro-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720844
N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide;hydrochloride
CID 120720795
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115903060
N-[1-(aminomethyl)cyclopentyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 119980611
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
4-cyano-2-methyl-N-[(3-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 106999019
3-methyl-4-propan-2-yloxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723398

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride (CID 120720689) is 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NCC2(C)CCCNC2)ccc1OC(C)C.Cl.
What is the InChIKey of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The InChIKey is HPHRLGVFEDQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3S.ClH/c1-13(2)22-16-7-6-15(10-14(16)3)23(20,21)19-12-17(4)8-5-9-18-11-17;/h6-7,10,13,18-19H,5,8-9,11-12H2,1-4H3;1H.
What are the key properties of 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120720689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).