1-amino-5-propan-2-ylsulfonylpentan-3-one

C8H17NO3S — CID 106736141

IUPAC1-amino-5-propan-2-ylsulfonylpentan-3-one
SMILESCC(C)S(=O)(=O)CCC(=O)CCN
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)6-4-8(10)3-5-9/h7H,3-6,9H2,1-2H3
InChIKeyDSZVXUOBYUUNKQ-UHFFFAOYSA-N
MW207.29 g/mol
LogP0.12
Rot. Bonds6

About 1-amino-5-propan-2-ylsulfonylpentan-3-one

1-amino-5-propan-2-ylsulfonylpentan-3-one (PubChem CID 106736141) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-amino-5-propan-2-ylsulfonylpentan-3-one.

Molecular Properties

Compound Name1-amino-5-propan-2-ylsulfonylpentan-3-one
PubChem CID106736141
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name1-amino-5-propan-2-ylsulfonylpentan-3-one
SMILESCC(C)S(=O)(=O)CCC(=O)CCN
InChIInChI=1S/C8H17NO3S/c1-7(2)13(11,12)6-4-8(10)3-5-9/h7H,3-6,9H2,1-2H3
InChIKeyDSZVXUOBYUUNKQ-UHFFFAOYSA-N
XLogP0.12
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
4,4-dimethyl-1-propan-2-ylsulfonylpentan-3-one
CID 167554026
1-propan-2-ylsulfonyl-5-pyrrolidin-3-ylpentan-3-one
CID 106736845
4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one
CID 106736339
methyl 3-(4-aminobutan-2-ylsulfonyl)propanoate
CID 64697839
6-amino-5-methyl-1-methylsulfonylhexan-3-one
CID 116596702
4-amino-4-methyl-1-propan-2-ylsulfonylheptan-3-one
CID 106736228
1-phenyl-11-propan-2-ylsulfonylundecan-6-one
CID 58144246
6-amino-1-propylsulfonylhexan-3-one
CID 106736174
1-phenyl-4-propan-2-ylsulfonylbutan-1-one
CID 64635424
13-methyl-1-(2-propan-2-ylsulfonylethylsulfanyl)tetradecane-4,10-dione
CID 159028001
1-aminohexan-3-one;carbon dioxide
CID 158553440

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-propan-2-ylsulfonylpentan-3-one?
The IUPAC name of 1-amino-5-propan-2-ylsulfonylpentan-3-one (CID 106736141) is 1-amino-5-propan-2-ylsulfonylpentan-3-one.
What is the SMILES notation for 1-amino-5-propan-2-ylsulfonylpentan-3-one?
The canonical SMILES for 1-amino-5-propan-2-ylsulfonylpentan-3-one is CC(C)S(=O)(=O)CCC(=O)CCN.
What is the InChIKey of 1-amino-5-propan-2-ylsulfonylpentan-3-one?
The InChIKey is DSZVXUOBYUUNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-7(2)13(11,12)6-4-8(10)3-5-9/h7H,3-6,9H2,1-2H3.
What are the key properties of 1-amino-5-propan-2-ylsulfonylpentan-3-one?
1-amino-5-propan-2-ylsulfonylpentan-3-one has a molecular weight of 207.29 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-propan-2-ylsulfonylpentan-3-one is sourced from PubChem (CID 106736141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).