N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide

C15H23N3O2S — CID 125259402

IUPACN-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN(CC2CC2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C15H23N3O2S/c1-21(19,20)17-14-6-8-18(11-12-4-5-12)15(14)9-13-3-2-7-16-10-13/h2-3,7,10,12,14-15,17H,4-6,8-9,11H2,1H3/t14-,15-/m1/s1
InChIKeyWTRUZKWKYAKLJX-HUUCEWRRSA-N
MW309.43 g/mol
LogP1.03
Rot. Bonds6

About N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide

N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (PubChem CID 125259402) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
PubChem CID125259402
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H]1CCN(CC2CC2)[C@@H]1Cc1cccnc1
InChIInChI=1S/C15H23N3O2S/c1-21(19,20)17-14-6-8-18(11-12-4-5-12)15(14)9-13-3-2-7-16-10-13/h2-3,7,10,12,14-15,17H,4-6,8-9,11H2,1H3/t14-,15-/m1/s1
InChIKeyWTRUZKWKYAKLJX-HUUCEWRRSA-N
XLogP1.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97384327
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
(2S,3R)-N,N-dimethyl-1-methylsulfonyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 97392082
N-[(3R)-3-[(4-phenylcyclohexyl)oxymethyl]-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 167125819
N-[(2S,3R)-1-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97471100
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194
N-[(3S,4R)-4-cyclopropyl-1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]methanesulfonamide
CID 133109861
3-[[(2R,3R)-3-(cyclopropylmethoxy)-1-cyclopropylsulfonylpyrrolidin-2-yl]methyl]pyridine
CID 124779864
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
3-[[(2S,3S)-3-(2-methoxyethoxy)-1-[[(3R)-oxolan-3-yl]methyl]pyrrolidin-2-yl]methyl]pyridine
CID 97470591
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
(2S,3S)-1-(benzenesulfonyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470516

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide (CID 125259402) is N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is CS(=O)(=O)N[C@@H]1CCN(CC2CC2)[C@@H]1Cc1cccnc1.
What is the InChIKey of N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is WTRUZKWKYAKLJX-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-21(19,20)17-14-6-8-18(11-12-4-5-12)15(14)9-13-3-2-7-16-10-13/h2-3,7,10,12,14-15,17H,4-6,8-9,11H2,1H3/t14-,15-/m1/s1.
What are the key properties of N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide?
N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 309.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R)-1-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 125259402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).