4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one

C9H19NO3S — CID 106736339

IUPAC4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one
SMILESCNC(C)C(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-5-9(11)8(3)10-4/h7-8,10H,5-6H2,1-4H3
InChIKeyHGSVOWQAMDXAKG-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.38
Rot. Bonds6

About 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one

4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one (PubChem CID 106736339) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one.

Molecular Properties

Compound Name4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one
PubChem CID106736339
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one
SMILESCNC(C)C(=O)CCS(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-5-9(11)8(3)10-4/h7-8,10H,5-6H2,1-4H3
InChIKeyHGSVOWQAMDXAKG-UHFFFAOYSA-N
XLogP0.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531
4,4-dimethyl-1-propan-2-ylsulfonylpentan-3-one
CID 167554026
1-amino-5-propan-2-ylsulfonylpentan-3-one
CID 106736141
(2R)-2-(2-propan-2-ylsulfonylethylamino)propanoic acid
CID 106727678
(Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine
CID 106735097
(2R,5S)-2-methyl-5-(methylamino)-4-oxohexanoic acid
CID 59111463
acetyl fluoride;1-fluoro-3-(methylamino)butan-2-one
CID 54224329
4-amino-4-methyl-1-propan-2-ylsulfonylheptan-3-one
CID 106736228
1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one
CID 106727073
N-tert-butyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106724338
1-(3-ethylpyrrolidin-3-yl)-3-propan-2-ylsulfonylpropan-1-one
CID 106736406

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one?
The IUPAC name of 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one (CID 106736339) is 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one.
What is the SMILES notation for 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one?
The canonical SMILES for 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one is CNC(C)C(=O)CCS(=O)(=O)C(C)C.
What is the InChIKey of 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one?
The InChIKey is HGSVOWQAMDXAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-7(2)14(12,13)6-5-9(11)8(3)10-4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one?
4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one has a molecular weight of 221.32 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one is sourced from PubChem (CID 106736339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).