1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid

C11H19NO4S — CID 64987808

IUPAC1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C11H19NO4S/c1-11(10(13)14)5-2-6-12(8-11)17(15,16)7-9-3-4-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYJGUEFQGVXOSSM-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.91
Rot. Bonds4

About 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid

1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 64987808) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID64987808
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(S(=O)(=O)CC2CC2)C1
InChIInChI=1S/C11H19NO4S/c1-11(10(13)14)5-2-6-12(8-11)17(15,16)7-9-3-4-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYJGUEFQGVXOSSM-UHFFFAOYSA-N
XLogP0.91
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 63247201
1-(2-methoxyethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136135
(3S)-1-[4-(cyclohexylmethylsulfonyl)phenyl]sulfonyl-3-methylpiperidine-3-carboxylic acid
CID 130460929
3-methyl-1-propan-2-ylsulfonylpiperidine-3-carboxylic acid
CID 63135913
1-(difluoromethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136084
1-[(4-ethylcyclohexyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136585
(4R)-1-(cyclopropylmethylsulfonyl)-6,6-dimethylazepan-4-ol
CID 164638158
3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid
CID 63135869
1-(cyclopropylmethylsulfonyl)-4-iodo-4-methylpiperidine
CID 126630195
1-ethylsulfonyl-3-hydroxypiperidine-3-carboxylic acid
CID 130861327
3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79613133
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid (CID 64987808) is 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(S(=O)(=O)CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is YJGUEFQGVXOSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-11(10(13)14)5-2-6-12(8-11)17(15,16)7-9-3-4-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid?
1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethylsulfonyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 64987808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).