N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide

C13H25N3O3S — CID 119551453

IUPACN-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(C)C1CCNC1
InChIInChI=1S/C13H25N3O3S/c1-3-9-20(18,19)16-8-4-5-12(16)13(17)15(2)11-6-7-14-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyZFGMHMZEWHEJSY-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.01
Rot. Bonds5

About N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide

N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide (PubChem CID 119551453) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
PubChem CID119551453
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)N(C)C1CCNC1
InChIInChI=1S/C13H25N3O3S/c1-3-9-20(18,19)16-8-4-5-12(16)13(17)15(2)11-6-7-14-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyZFGMHMZEWHEJSY-UHFFFAOYSA-N
XLogP0.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 62335541
(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
N-[(4-fluorophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134044798
3-[methyl-[(2R)-1-propylsulfonylpiperidine-2-carbonyl]amino]propanoic acid
CID 97098894
N-methyl-1-(2-phenylacetyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119552186
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-[(2-bromophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134044708
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
N-(2-methylpiperidin-4-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 120599459
(1-propylsulfonylpyrrolidin-2-yl)methanol
CID 61408748

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide (CID 119551453) is N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)N(C)C1CCNC1.
What is the InChIKey of N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is ZFGMHMZEWHEJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-3-9-20(18,19)16-8-4-5-12(16)13(17)15(2)11-6-7-14-10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide?
N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propylsulfonyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119551453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).