N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide

C14H23N3O4S2 — CID 120710079

IUPACN,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCNC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H23N3O4S2/c1-15-12-8-10-17(11-9-12)23(20,21)14-7-5-4-6-13(14)22(18,19)16(2)3/h4-7,12,15H,8-11H2,1-3H3
InChIKeySTYDCKMTEXQVRQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.31
Rot. Bonds5

About N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide

N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 120710079) has the molecular formula C14H23N3O4S2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide
PubChem CID120710079
Molecular FormulaC14H23N3O4S2
Molecular Weight361.49 g/mol
Exact Mass361.11
IUPAC NameN,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide
SMILESCNC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C14H23N3O4S2/c1-15-12-8-10-17(11-9-12)23(20,21)14-7-5-4-6-13(14)22(18,19)16(2)3/h4-7,12,15H,8-11H2,1-3H3
InChIKeySTYDCKMTEXQVRQ-UHFFFAOYSA-N
XLogP0.31
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 120710068
N-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119980070
1-(1-chloroisoquinolin-5-yl)sulfonyl-N-methylpiperidin-4-amine
CID 14326774
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
1-(2,5-dimethylphenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980300
N,N-dimethyl-4-[4-(methylamino)piperidin-1-yl]benzenesulfonamide
CID 60807414
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
[2-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]-phenylmethanone
CID 120999319
3-chloro-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120875104
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119980208

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide (CID 120710079) is N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide is CNC1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is STYDCKMTEXQVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2/c1-15-12-8-10-17(11-9-12)23(20,21)14-7-5-4-6-13(14)22(18,19)16(2)3/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide?
N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 361.49 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(methylamino)piperidin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 120710079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).