1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one

C10H20N2O3S — CID 158540238

IUPAC1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one
SMILESCCC(=O)CS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H20N2O3S/c1-2-10(13)8-16(14,15)12-5-3-9(7-11)4-6-12/h9H,2-8,11H2,1H3
InChIKeyREKYAJGEZXBLKL-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.03
Rot. Bonds5

About 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one

1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one (PubChem CID 158540238) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one
PubChem CID158540238
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one
SMILESCCC(=O)CS(=O)(=O)N1CCC(CN)CC1
InChIInChI=1S/C10H20N2O3S/c1-2-10(13)8-16(14,15)12-5-3-9(7-11)4-6-12/h9H,2-8,11H2,1H3
InChIKeyREKYAJGEZXBLKL-UHFFFAOYSA-N
XLogP-0.03
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
[1-(cyclopropylmethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 119998739
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
CID 79609171
[1-(3-methoxypropylsulfonyl)piperidin-4-yl]methanamine
CID 63288293
(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
CID 43605338
4-(aminomethyl)-N-ethyl-N-methylpiperidine-1-sulfonamide;hydrochloride
CID 119963738
(1-but-3-enylsulfonylpiperidin-4-yl)methanamine
CID 119963888
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
3-(aminomethyl)pyrrolidine-1-sulfonamide
CID 114959335
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one?
The IUPAC name of 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one (CID 158540238) is 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one?
The canonical SMILES for 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one is CCC(=O)CS(=O)(=O)N1CCC(CN)CC1.
What is the InChIKey of 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one?
The InChIKey is REKYAJGEZXBLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-10(13)8-16(14,15)12-5-3-9(7-11)4-6-12/h9H,2-8,11H2,1H3.
What are the key properties of 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one?
1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one has a molecular weight of 248.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)piperidin-1-yl]sulfonylbutan-2-one is sourced from PubChem (CID 158540238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).