N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide

C15H22N2O3S — CID 124613861

IUPACN-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N(C)[C@@H]1CCNC1
InChIInChI=1S/C15H22N2O3S/c1-11(2)21(19,20)14-7-5-4-6-13(14)15(18)17(3)12-8-9-16-10-12/h4-7,11-12,16H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyPIHHVDHIRNOYNZ-GFCCVEGCSA-N
MW310.42 g/mol
LogP1.30
Rot. Bonds4

About N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide

N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 124613861) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID124613861
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCC(C)S(=O)(=O)c1ccccc1C(=O)N(C)[C@@H]1CCNC1
InChIInChI=1S/C15H22N2O3S/c1-11(2)21(19,20)14-7-5-4-6-13(14)15(18)17(3)12-8-9-16-10-12/h4-7,11-12,16H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyPIHHVDHIRNOYNZ-GFCCVEGCSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 126809231
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
2-bromo-N,3-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 107983110
3-hydroxy-N,2-dimethyl-N-pyrrolidin-3-ylbenzamide
CID 82829855
N-methyl-2-(4-methylbenzoyl)-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 124613629
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 79749564
N-methyl-2-morpholin-4-yl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 124613864
2-benzamido-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552674
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylpyrimidine-5-carboxamide
CID 119551523
2-hydroxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 55026964
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylbenzamide
CID 72544793
N-methyl-N-pyrrolidin-3-yl-2-(thiophene-2-carbonyl)benzamide;hydrochloride
CID 119553741

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide (CID 124613861) is N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide is CC(C)S(=O)(=O)c1ccccc1C(=O)N(C)[C@@H]1CCNC1.
What is the InChIKey of N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is PIHHVDHIRNOYNZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)21(19,20)14-7-5-4-6-13(14)15(18)17(3)12-8-9-16-10-12/h4-7,11-12,16H,8-10H2,1-3H3/t12-/m1/s1.
What are the key properties of N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide?
N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylsulfonyl-N-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 124613861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).