3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide

C13H26N2O3S — CID 174163931

IUPAC3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide
SMILESCCC(=O)CCS(=O)(=O)NC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C13H26N2O3S/c1-4-13(16)7-9-19(17,18)14-10-12-6-5-8-15(12)11(2)3/h11-12,14H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyDTJFZKZDVGLGGP-LBPRGKRZSA-N
MW290.43 g/mol
LogP1.15
Rot. Bonds8

About 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide

3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide (PubChem CID 174163931) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide
PubChem CID174163931
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide
SMILESCCC(=O)CCS(=O)(=O)NC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C13H26N2O3S/c1-4-13(16)7-9-19(17,18)14-10-12-6-5-8-15(12)11(2)3/h11-12,14H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyDTJFZKZDVGLGGP-LBPRGKRZSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 174163970
4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]butanoic acid
CID 43209551
methyl 3-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propanoate
CID 162750775
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl acetate
CID 164547816
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 43654453
1-[3-[[2-oxo-2-(propan-2-ylamino)ethyl]sulfamoyl]propanoyl]pyrrolidine-2-carboxylic acid
CID 119356885
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 61408944
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
3-(cyclobutylmethylsulfamoyl)propanoic acid
CID 43298604
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]prop-2-enoate
CID 117266941

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide?
The IUPAC name of 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide (CID 174163931) is 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide.
What is the SMILES notation for 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide?
The canonical SMILES for 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide is CCC(=O)CCS(=O)(=O)NC[C@@H]1CCCN1C(C)C.
What is the InChIKey of 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide?
The InChIKey is DTJFZKZDVGLGGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-4-13(16)7-9-19(17,18)14-10-12-6-5-8-15(12)11(2)3/h11-12,14H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide?
3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pentane-1-sulfonamide is sourced from PubChem (CID 174163931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).