3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide

C10H20N2O3S — CID 102778900

IUPAC3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8-4-6-11-9(8)10(13)12-5-3-7-16(2,14)15/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyCAVOVBRMDBSWMO-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.46
Rot. Bonds5

About 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide

3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide (PubChem CID 102778900) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide
PubChem CID102778900
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8-4-6-11-9(8)10(13)12-5-3-7-16(2,14)15/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyCAVOVBRMDBSWMO-UHFFFAOYSA-N
XLogP-0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-aminobutyryl-L-proline 3-methylthiopropylamide
CID 11666411
(4R)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-1-oxo-1,3-thiazolidine-4-carbonitrile
CID 69689410
H-D-Thz-Leu-Gly-NH2
CID 90675113
(R)-3-((S)-2-Amino-3-methyl-pentanoyl)-1,1-dioxo-thiazolidine-4-carbonitrile
CID 44325540
H-Ile-Ile-Pro-Leu-Met-NH2
CID 44454324
H-Thz-Leu-Gly-NH2
CID 73356022
(2S,4R)-4-amino-N,N-diethyl-1-[(methylsulfonyl)acetyl]pyrrolidine-2-carboxamide
CID 56709986
1-(2-Methylpentylsulfonyl)pyrrolidine-2-carboxamide
CID 71985583
2,4-Dimethyl-2-(3-methylsulfonylpropylamino)pentanamide
CID 72128237
(2S)-N-(cyclohexylmethyl)-1-(2-methyl-2-methylsulfonylpropyl)pyrrolidine-2-carboxamide
CID 97160237
5-Sec-butyl-3-(1,1-dioxidotetrahydro-3-thiophenyl)-2,4-imidazolidinedione
CID 137838300
(2S)-1-cyclopropyl-N-[(1-methylsulfonylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 164641665

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide (CID 102778900) is 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide is CC1CCNC1C(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is CAVOVBRMDBSWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8-4-6-11-9(8)10(13)12-5-3-7-16(2,14)15/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide?
3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102778900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).