1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide

C12H22F2N2O4S2 — CID 128579309

IUPAC1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCCN(S(=O)(=O)CC2CC(F)(F)C2)C1
InChIInChI=1S/C12H22F2N2O4S2/c1-15(2)22(19,20)11-4-3-5-16(8-11)21(17,18)9-10-6-12(13,14)7-10/h10-11H,3-9H2,1-2H3
InChIKeyIYWLVYZKYQDPRQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP0.72
Rot. Bonds5

About 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide

1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide (PubChem CID 128579309) has the molecular formula C12H22F2N2O4S2 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide
PubChem CID128579309
Molecular FormulaC12H22F2N2O4S2
Molecular Weight360.45 g/mol
Exact Mass360.10
IUPAC Name1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCCN(S(=O)(=O)CC2CC(F)(F)C2)C1
InChIInChI=1S/C12H22F2N2O4S2/c1-15(2)22(19,20)11-4-3-5-16(8-11)21(17,18)9-10-6-12(13,14)7-10/h10-11H,3-9H2,1-2H3
InChIKeyIYWLVYZKYQDPRQ-UHFFFAOYSA-N
XLogP0.72
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-(bromomethylsulfonyl)-3-ethylpiperidine
CID 83093383
1-(cyclopropylmethylsulfonyl)piperidin-3-ol
CID 64987994
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
2-[1-[(3,3-difluorocyclobutyl)methylsulfonyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166292079
1-[1-(cyclohexylmethylsulfonyl)piperidin-3-yl]ethanamine
CID 63853138
1-(cyclohexylmethylsulfonyl)-N-methylpiperidin-3-amine;hydrochloride
CID 120715396
1-[1-(cyclopentylmethylsulfonyl)piperidin-3-yl]cyclopropan-1-ol
CID 138381986
1-(cyclopropylmethylsulfonyl)piperidine-3-carbonitrile
CID 64987766
1-(cyclopentylmethylsulfonyl)-N,N-dimethylpiperidin-4-amine
CID 127491617
3-fluoro-3-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 112563941
1-[(2,2-difluorocyclohexyl)methylsulfonyl]-3-methylsulfonylazetidine
CID 136546461

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide (CID 128579309) is 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide is CN(C)S(=O)(=O)C1CCCN(S(=O)(=O)CC2CC(F)(F)C2)C1.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide?
The InChIKey is IYWLVYZKYQDPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O4S2/c1-15(2)22(19,20)11-4-3-5-16(8-11)21(17,18)9-10-6-12(13,14)7-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide?
1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide has a molecular weight of 360.45 g/mol, XLogP of 0.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methylsulfonyl]-N,N-dimethylpiperidine-3-sulfonamide is sourced from PubChem (CID 128579309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).