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

C14H20N2O3S2 — CID 146210592

IUPACN-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H20N2O3S2/c1-3-21(18,19)15-10-13-8-9-16(11-13)20(17)14-6-4-12(2)5-7-14/h3-7,13,15H,1,8-11H2,2H3/t13-,20?/m1/s1
InChIKeyMYSHTZMWZRKZJR-CRIUFTBBSA-N
MW328.46 g/mol
LogP1.40
Rot. Bonds6

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

N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146210592) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146210592
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC NameN-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CCN(S(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C14H20N2O3S2/c1-3-21(18,19)15-10-13-8-9-16(11-13)20(17)14-6-4-12(2)5-7-14/h3-7,13,15H,1,8-11H2,2H3/t13-,20?/m1/s1
InChIKeyMYSHTZMWZRKZJR-CRIUFTBBSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
N-[[(3S)-1-(3,5-dimethylbenzoyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210524
N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210607
N-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211914
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211749
N-[[1-[4-(dimethylamino)benzoyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211753
N-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210419
N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
N-[[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210402
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146210592) is N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CCN(S(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is MYSHTZMWZRKZJR-CRIUFTBBSA-N. The full InChI is InChI=1S/C14H20N2O3S2/c1-3-21(18,19)15-10-13-8-9-16(11-13)20(17)14-6-4-12(2)5-7-14/h3-7,13,15H,1,8-11H2,2H3/t13-,20?/m1/s1.
What are the key properties of N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 328.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(4-methylphenyl)sulfinylpyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146210592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).