2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid

C10H17NO4S — CID 79608513

IUPAC2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid
SMILESO=C(O)CC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C10H17NO4S/c12-10(13)7-8-3-5-11(6-4-8)16(14,15)9-1-2-9/h8-9H,1-7H2,(H,12,13)
InChIKeyKCCHXEBIZGGWRF-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.67
Rot. Bonds4

About 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid

2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid (PubChem CID 79608513) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid
PubChem CID79608513
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid
SMILESO=C(O)CC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C10H17NO4S/c12-10(13)7-8-3-5-11(6-4-8)16(14,15)9-1-2-9/h8-9H,1-7H2,(H,12,13)
InChIKeyKCCHXEBIZGGWRF-UHFFFAOYSA-N
XLogP0.67
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxan-4-ylsulfonyl)azetidin-3-yl]acetic acid
CID 64617436
2-[1-(2,2-dimethylpropylsulfonyl)piperidin-4-yl]acetic acid
CID 79608808
2-[1-(cyanomethylsulfonyl)piperidin-4-yl]acetic acid
CID 79608157
N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990642
CID 89058382
CID 89058382
2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
4-chloro-1-cyclopropylsulfonylpiperidine
CID 64552242
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
CID 79609171
1-cyclopropylsulfonylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 175545583
2-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]acetic acid
CID 78979719
2-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]acetic acid
CID 78980451
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 136571997

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid (CID 79608513) is 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid is O=C(O)CC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid?
The InChIKey is KCCHXEBIZGGWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-10(13)7-8-3-5-11(6-4-8)16(14,15)9-1-2-9/h8-9H,1-7H2,(H,12,13).
What are the key properties of 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid?
2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid has a molecular weight of 247.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 79608513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).