4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one

C11H21NO3S — CID 106736202

IUPAC4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one
SMILESCC(C)(C)S(=O)(=O)CCC(=O)CNC1CC1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)16(14,15)7-6-10(13)8-12-9-4-5-9/h9,12H,4-8H2,1-3H3
InChIKeyPMXNFAULWHLEPM-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.91
Rot. Bonds6

About 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one

4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one (PubChem CID 106736202) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one.

Molecular Properties

Compound Name4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one
PubChem CID106736202
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one
SMILESCC(C)(C)S(=O)(=O)CCC(=O)CNC1CC1
InChIInChI=1S/C11H21NO3S/c1-11(2,3)16(14,15)7-6-10(13)8-12-9-4-5-9/h9,12H,4-8H2,1-3H3
InChIKeyPMXNFAULWHLEPM-UHFFFAOYSA-N
XLogP0.91
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylamino)-5-ethylsulfonylpentan-2-one
CID 116555126
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
1-(cyclopropylamino)-5,5,5-trifluoropentan-2-one
CID 116555202
N-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-(2-tert-butylsulfonylethylamino)-N-cyclopropylacetamide
CID 113268578
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
CID 106735497
1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one
CID 106736432
3-tert-butylsulfonylpropanethioic S-acid
CID 88748629
4-tert-butylsulfonyl-1-cyclopropylbutan-1-one
CID 106727074
N-[[1-(2-tert-butylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106729855
1-(cyclopentylamino)-5-methylhex-5-en-2-one
CID 114477892
1-(cyclopentylamino)-5-methylhexan-2-one
CID 116558960

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one?
The IUPAC name of 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one (CID 106736202) is 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one.
What is the SMILES notation for 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one?
The canonical SMILES for 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one is CC(C)(C)S(=O)(=O)CCC(=O)CNC1CC1.
What is the InChIKey of 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one?
The InChIKey is PMXNFAULWHLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c1-11(2,3)16(14,15)7-6-10(13)8-12-9-4-5-9/h9,12H,4-8H2,1-3H3.
What are the key properties of 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one?
4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one has a molecular weight of 247.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfonyl-1-(cyclopropylamino)butan-2-one is sourced from PubChem (CID 106736202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).