(2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide

C14H25N3O3S — CID 124728304

IUPAC(2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)C1
InChIInChI=1S/C14H25N3O3S/c1-11-4-2-8-16(10-11)21(19,20)17-9-3-5-13(17)14(18)15-12-6-7-12/h11-13H,2-10H2,1H3,(H,15,18)/t11-,13+/m1/s1
InChIKeyDHQMONRRAXXTRK-YPMHNXCESA-N
MW315.44 g/mol
LogP0.71
Rot. Bonds4

About (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 124728304) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide
PubChem CID124728304
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name(2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)C1
InChIInChI=1S/C14H25N3O3S/c1-11-4-2-8-16(10-11)21(19,20)17-9-3-5-13(17)14(18)15-12-6-7-12/h11-13H,2-10H2,1H3,(H,15,18)/t11-,13+/m1/s1
InChIKeyDHQMONRRAXXTRK-YPMHNXCESA-N
XLogP0.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylate
CID 79829978
(2R)-N-cyclopropyl-1-sulfamoylpyrrolidine-2-carboxamide
CID 95134463
N-cyclopropyl-1-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 47372071
N-[1-(3-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]benzamide
CID 136576495
(2R)-N-cyclopropyl-1-(diethylsulfamoyl)pyrrolidine-2-carboxamide
CID 35611405
3,3-dimethyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-2-carboxylic acid
CID 106831621
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568
ethyl N-[(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-3-yl]carbamate
CID 94638446

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide (CID 124728304) is (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide is C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H]2C(=O)NC2CC2)C1.
What is the InChIKey of (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is DHQMONRRAXXTRK-YPMHNXCESA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11-4-2-8-16(10-11)21(19,20)17-9-3-5-13(17)14(18)15-12-6-7-12/h11-13H,2-10H2,1H3,(H,15,18)/t11-,13+/m1/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 124728304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).