N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride

C16H26ClN3O4S2 — CID 119980208

IUPACN-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1.Cl
InChIInChI=1S/C16H25N3O4S2.ClH/c1-17-14-7-11-19(12-8-14)25(22,23)16-6-4-5-15(13-16)24(20,21)18-9-2-3-10-18;/h4-6,13-14,17H,2-3,7-12H2,1H3;1H
InChIKeyCNNWHSOUVBUHSY-UHFFFAOYSA-N
MW423.99 g/mol
LogP1.27
Rot. Bonds5

About N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride

N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride (PubChem CID 119980208) has the molecular formula C16H26ClN3O4S2 and a molecular weight of 423.99 g/mol. Its IUPAC name is N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
PubChem CID119980208
Molecular FormulaC16H26ClN3O4S2
Molecular Weight423.99 g/mol
Exact Mass423.11
IUPAC NameN-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1.Cl
InChIInChI=1S/C16H25N3O4S2.ClH/c1-17-14-7-11-19(12-8-14)25(22,23)16-6-4-5-15(13-16)24(20,21)18-9-2-3-10-18;/h4-6,13-14,17H,2-3,7-12H2,1H3;1H
InChIKeyCNNWHSOUVBUHSY-UHFFFAOYSA-N
XLogP1.27
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977852
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
1-(3-methylsulfonylphenyl)sulfonylazepane
CID 6457455
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
N-methyl-1-(3-methylsulfanylphenyl)sulfonylpyrrolidin-3-amine
CID 120999241
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
N-piperidin-4-yl-3-piperidin-1-ylsulfonylbenzenesulfonamide
CID 119960493
N-(2-methylcyclohexyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 25044263
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
1-(4-cyclohexylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979767

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride (CID 119980208) is N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1.Cl.
What is the InChIKey of N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
The InChIKey is CNNWHSOUVBUHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2.ClH/c1-17-14-7-11-19(12-8-14)25(22,23)16-6-4-5-15(13-16)24(20,21)18-9-2-3-10-18;/h4-6,13-14,17H,2-3,7-12H2,1H3;1H.
What are the key properties of N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride?
N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119980208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).