(3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine

C7H15F2N2O2PS — CID 170364525

IUPAC(3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine
SMILESCPC(F)(F)S(=O)(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C7H15F2N2O2PS/c1-14-7(8,9)15(12,13)11-4-2-3-6(10)5-11/h6,14H,2-5,10H2,1H3/t6-/m1/s1
InChIKeyDLQUMRTWZPEWHP-ZCFIWIBFSA-N
MW260.25 g/mol
LogP0.60
Rot. Bonds3

About (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine

(3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine (PubChem CID 170364525) has the molecular formula C7H15F2N2O2PS and a molecular weight of 260.25 g/mol. Its IUPAC name is (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine
PubChem CID170364525
Molecular FormulaC7H15F2N2O2PS
Molecular Weight260.25 g/mol
Exact Mass260.06
IUPAC Name(3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine
SMILESCPC(F)(F)S(=O)(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C7H15F2N2O2PS/c1-14-7(8,9)15(12,13)11-4-2-3-6(10)5-11/h6,14H,2-5,10H2,1H3/t6-/m1/s1
InChIKeyDLQUMRTWZPEWHP-ZCFIWIBFSA-N
XLogP0.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-aminopiperidine-1-sulfonamide
CID 102984338
(3R)-1-cyclopropylsulfonylpiperidin-3-amine
CID 95378411
(3R)-3-amino-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 102984427
1-(1-methylpiperidin-4-yl)sulfonylpiperidin-3-amine
CID 115277187
(3R)-1-(3,3-dimethylbutylsulfonyl)piperidin-3-amine
CID 102977594
(3R)-1-(cyclopropylmethylsulfonyl)piperidin-3-amine
CID 102977569
1-propylsulfonylpiperidin-3-amine;hydrochloride
CID 119959785
3-amino-N,N-diethylpiperidine-1-sulfonamide
CID 43210480
1-(cyclopropylmethylsulfonyl)piperidin-3-amine;hydrochloride
CID 119998731
3-amino-N-propylpiperidine-1-sulfonamide
CID 114803216
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
1-[4-(2,2,2-trifluoroethyl)phenyl]sulfonylpiperidin-3-amine;hydrochloride
CID 120706026

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine?
The IUPAC name of (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine (CID 170364525) is (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine?
The canonical SMILES for (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine is CPC(F)(F)S(=O)(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine?
The InChIKey is DLQUMRTWZPEWHP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15F2N2O2PS/c1-14-7(8,9)15(12,13)11-4-2-3-6(10)5-11/h6,14H,2-5,10H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine?
(3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine has a molecular weight of 260.25 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[difluoro(methylphosphanyl)methyl]sulfonylpiperidin-3-amine is sourced from PubChem (CID 170364525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).