1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide

C9H18N2O4S — CID 154860289

IUPAC1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
SMILESCC(C)ONC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-7(2)15-10-9(12)8-5-4-6-11(8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyNLGFUJIYXZUWPT-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.13
Rot. Bonds4

About 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide

1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide (PubChem CID 154860289) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
PubChem CID154860289
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Name1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
SMILESCC(C)ONC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C9H18N2O4S/c1-7(2)15-10-9(12)8-5-4-6-11(8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyNLGFUJIYXZUWPT-UHFFFAOYSA-N
XLogP-0.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropoxy)-1-methylsulfonylpiperidine-2-carboxamide
CID 115410256
tert-butyl (2R)-2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoate
CID 81000032
(2R)-N-[(2R)-1-methoxypropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95129913
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
CID 43423217
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 103771592
N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
CID 43423256
(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94014919
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide (CID 154860289) is 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide is CC(C)ONC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide?
The InChIKey is NLGFUJIYXZUWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7(2)15-10-9(12)8-5-4-6-11(8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide?
1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 154860289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).