N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide

C14H20N2O4S — CID 114760357

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide
SMILESCN(CC1(O)CCNC1)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-16(10-14(18)7-8-15-9-14)13(17)11-3-5-12(6-4-11)21(2,19)20/h3-6,15,18H,7-10H2,1-2H3
InChIKeyAFLIKCDHDXOFRF-UHFFFAOYSA-N
MW312.39 g/mol
LogP-0.11
Rot. Bonds4

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide (PubChem CID 114760357) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide
PubChem CID114760357
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide
SMILESCN(CC1(O)CCNC1)C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-16(10-14(18)7-8-15-9-14)13(17)11-3-5-12(6-4-11)21(2,19)20/h3-6,15,18H,7-10H2,1-2H3
InChIKeyAFLIKCDHDXOFRF-UHFFFAOYSA-N
XLogP-0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-propan-2-ylbenzamide
CID 114760168
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
CID 114760455
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894
3-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-N-methylbenzamide
CID 114760478
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylbenzamide
CID 107671368
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 114760033
2-chloro-5-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 106500908
2-fluoro-4-hydroxy-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 107675691
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-methoxy-N,5-dimethylbenzamide
CID 114760445

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide (CID 114760357) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide is CN(CC1(O)CCNC1)C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide?
The InChIKey is AFLIKCDHDXOFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-16(10-14(18)7-8-15-9-14)13(17)11-3-5-12(6-4-11)21(2,19)20/h3-6,15,18H,7-10H2,1-2H3.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide has a molecular weight of 312.39 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-methylsulfonylbenzamide is sourced from PubChem (CID 114760357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).