cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C11H18N2O5S — CID 93377338

IUPACcis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C11H18N2O5S/c1-19(17,18)12-7-2-4-13(5-3-7)10(14)8-6-9(8)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyVOEJBMKJMJLRTB-BDAKNGLRSA-N
MW290.34 g/mol
LogP-0.75
Rot. Bonds4

About cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 93377338) has the molecular formula C11H18N2O5S and a molecular weight of 290.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID93377338
Molecular FormulaC11H18N2O5S
Molecular Weight290.34 g/mol
Exact Mass290.09
IUPAC Namecis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1
InChIInChI=1S/C11H18N2O5S/c1-19(17,18)12-7-2-4-13(5-3-7)10(14)8-6-9(8)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16)/t8-,9+/m1/s1
InChIKeyVOEJBMKJMJLRTB-BDAKNGLRSA-N
XLogP-0.75
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]methanesulfonamide
CID 51302071
4-[(3R)-3-(methanesulfonamido)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 129468739
trans-(1R,2R)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119643
cis-(1R,2S)-2-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 125119641
N-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 103794357
cis-(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311514
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035
N-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 95051787
cis-(1R,2S)-2-[(3S)-3-(cyclopentylsulfamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125120065
trans-(1R,2R)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 93311543
2-(azocane-1-carbonyl)cyclopropane-1-carboxylic acid
CID 60792176
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 93377338) is cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is CS(=O)(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1.
What is the InChIKey of cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is VOEJBMKJMJLRTB-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H18N2O5S/c1-19(17,18)12-7-2-4-13(5-3-7)10(14)8-6-9(8)11(15)16/h7-9,12H,2-6H2,1H3,(H,15,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.34 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[4-(methanesulfonamido)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93377338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).