cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid

C12H22N2O4S — CID 114173287

IUPACcis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C12H22N2O4S/c1-9-3-2-6-14(8-9)19(17,18)13-11-5-4-10(7-11)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)/t9?,10-,11+/m1/s1
InChIKeyQPDVAWYYHNUJCN-ZOCYIJKUSA-N
MW290.38 g/mol
LogP0.81
Rot. Bonds4

About cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 114173287) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID114173287
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Namecis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCC1CCCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1
InChIInChI=1S/C12H22N2O4S/c1-9-3-2-6-14(8-9)19(17,18)13-11-5-4-10(7-11)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)/t9?,10-,11+/m1/s1
InChIKeyQPDVAWYYHNUJCN-ZOCYIJKUSA-N
XLogP0.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
(3S)-N-cycloheptyl-3-methylpiperidine-1-sulfonamide
CID 35431097
4-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 79526114
3-(piperidin-1-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 63042575
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
N-[(3-chlorocyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66006965
(3S)-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-sulfonamide
CID 39992415
N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 114552073
1-methyl-2-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 82763275
3-methyl-N-(6-oxopiperidin-3-yl)piperidine-1-sulfonamide
CID 62491451
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 114173287) is cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid is CC1CCCN(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)C1.
What is the InChIKey of cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QPDVAWYYHNUJCN-ZOCYIJKUSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-9-3-2-6-14(8-9)19(17,18)13-11-5-4-10(7-11)12(15)16/h9-11,13H,2-8H2,1H3,(H,15,16)/t9?,10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 290.38 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).