(3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine

C7H13F2NO2S — CID 130610414

IUPAC(3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine
SMILESC[C@H]1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO2S/c1-6-3-2-4-10(5-6)13(11,12)7(8)9/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeySCTCQYGNTDCPCA-LURJTMIESA-N
MW213.25 g/mol
LogP1.27
Rot. Bonds2

About (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine

(3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine (PubChem CID 130610414) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine
PubChem CID130610414
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name(3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine
SMILESC[C@H]1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO2S/c1-6-3-2-4-10(5-6)13(11,12)7(8)9/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKeySCTCQYGNTDCPCA-LURJTMIESA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
1-(Methylsulfonyl)-3-(trifluoromethyl)piperidine
CID 3646972
4-Fluoro-4-methyl-1-methylsulfonylpiperidine
CID 165041438
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
N,1,1-trifluoro-1-(3-methylpiperidin-1-yl)methanesulfonamide
CID 22008412
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
4-Tert-butyl-1-(trifluoromethylsulfonyl)piperidine
CID 58394662
1-(Difluoromethylsulfonyl)piperidine
CID 58435991
3-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 58689229
4-Methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
CID 59862750

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine?
The IUPAC name of (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine (CID 130610414) is (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine.
What is the SMILES notation for (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine?
The canonical SMILES for (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine is C[C@H]1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine?
The InChIKey is SCTCQYGNTDCPCA-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-6-3-2-4-10(5-6)13(11,12)7(8)9/h6-7H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine?
(3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine has a molecular weight of 213.25 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(difluoromethylsulfonyl)-3-methylpiperidine is sourced from PubChem (CID 130610414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).