N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide

C15H22N2O4S2 — CID 146211158

IUPACN-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C15H22N2O4S2/c1-3-22(18,19)16-11-14-5-4-10-17(12-14)23(20,21)15-8-6-13(2)7-9-15/h3,6-9,14,16H,1,4-5,10-12H2,2H3/t14-/m1/s1
InChIKeyPRTQIXZOXQRNNS-CQSZACIVSA-N
MW358.49 g/mol
LogP1.46
Rot. Bonds6

About N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide

N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146211158) has the molecular formula C15H22N2O4S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
PubChem CID146211158
Molecular FormulaC15H22N2O4S2
Molecular Weight358.49 g/mol
Exact Mass358.10
IUPAC NameN-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C15H22N2O4S2/c1-3-22(18,19)16-11-14-5-4-10-17(12-14)23(20,21)15-8-6-13(2)7-9-15/h3,6-9,14,16H,1,4-5,10-12H2,2H3/t14-/m1/s1
InChIKeyPRTQIXZOXQRNNS-CQSZACIVSA-N
XLogP1.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
N-[[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]propan-1-amine
CID 63879807
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211749
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210433
1-[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 146210891
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210592
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401
N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211986

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide (CID 146211158) is N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is PRTQIXZOXQRNNS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2O4S2/c1-3-22(18,19)16-11-14-5-4-10-17(12-14)23(20,21)15-8-6-13(2)7-9-15/h3,6-9,14,16H,1,4-5,10-12H2,2H3/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide?
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 358.49 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146211158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).