3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid

C12H24N2O4S — CID 81066565

IUPAC3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
SMILESCCC(CNS(=O)(=O)N1CCCC(C)C1)CC(=O)O
InChIInChI=1S/C12H24N2O4S/c1-3-11(7-12(15)16)8-13-19(17,18)14-6-4-5-10(2)9-14/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyURPKTUJLBMOIPP-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.05
Rot. Bonds7

About 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid

3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 81066565) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID81066565
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
SMILESCCC(CNS(=O)(=O)N1CCCC(C)C1)CC(=O)O
InChIInChI=1S/C12H24N2O4S/c1-3-11(7-12(15)16)8-13-19(17,18)14-6-4-5-10(2)9-14/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyURPKTUJLBMOIPP-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(4-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066819
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
CID 65036779
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415
methyl 2-[(3-methylpiperidin-1-yl)sulfonylamino]acetate
CID 43431574
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid (CID 81066565) is 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid is CCC(CNS(=O)(=O)N1CCCC(C)C1)CC(=O)O.
What is the InChIKey of 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is URPKTUJLBMOIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-3-11(7-12(15)16)8-13-19(17,18)14-6-4-5-10(2)9-14/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid?
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 292.40 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 81066565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).