1-(methylamino)-5-propylsulfonylpentan-3-one

C9H19NO3S — CID 106736291

IUPAC1-(methylamino)-5-propylsulfonylpentan-3-one
SMILESCCCS(=O)(=O)CCC(=O)CCNC
InChIInChI=1S/C9H19NO3S/c1-3-7-14(12,13)8-5-9(11)4-6-10-2/h10H,3-8H2,1-2H3
InChIKeyUTDZJRUGLIQHRV-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.38
Rot. Bonds8

About 1-(methylamino)-5-propylsulfonylpentan-3-one

1-(methylamino)-5-propylsulfonylpentan-3-one (PubChem CID 106736291) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(methylamino)-5-propylsulfonylpentan-3-one.

Molecular Properties

Compound Name1-(methylamino)-5-propylsulfonylpentan-3-one
PubChem CID106736291
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name1-(methylamino)-5-propylsulfonylpentan-3-one
SMILESCCCS(=O)(=O)CCC(=O)CCNC
InChIInChI=1S/C9H19NO3S/c1-3-7-14(12,13)8-5-9(11)4-6-10-2/h10H,3-8H2,1-2H3
InChIKeyUTDZJRUGLIQHRV-UHFFFAOYSA-N
XLogP0.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

1-(ethylamino)-5-propylsulfonylpentan-3-one
CID 106736352
1-(ethylamino)-4-propylsulfonylbutan-2-one
CID 106736312
6-amino-1-propylsulfonylhexan-3-one
CID 106736174
1-(methylamino)nonan-3-one
CID 116561157
1-propylsulfonylpropane
CID 11709
N-(2-propylsulfonylethyl)acetamide
CID 142065321
6-propylsulfonylhexan-3-one
CID 106727029
1-ethylsulfonyl-6-(propan-2-ylamino)hexan-3-one
CID 106736244
4-butylsulfonyl-N-methylbutan-1-amine
CID 106512531
N-methylpropan-1-amine;sulfuric acid
CID 159819552
N-(3-propylsulfonylpropyl)propanamide
CID 146416714
1-(methylamino)hept-6-en-3-one
CID 116561070

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-5-propylsulfonylpentan-3-one?
The IUPAC name of 1-(methylamino)-5-propylsulfonylpentan-3-one (CID 106736291) is 1-(methylamino)-5-propylsulfonylpentan-3-one.
What is the SMILES notation for 1-(methylamino)-5-propylsulfonylpentan-3-one?
The canonical SMILES for 1-(methylamino)-5-propylsulfonylpentan-3-one is CCCS(=O)(=O)CCC(=O)CCNC.
What is the InChIKey of 1-(methylamino)-5-propylsulfonylpentan-3-one?
The InChIKey is UTDZJRUGLIQHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-7-14(12,13)8-5-9(11)4-6-10-2/h10H,3-8H2,1-2H3.
What are the key properties of 1-(methylamino)-5-propylsulfonylpentan-3-one?
1-(methylamino)-5-propylsulfonylpentan-3-one has a molecular weight of 221.32 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-5-propylsulfonylpentan-3-one is sourced from PubChem (CID 106736291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).