1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide

C22H43FN4O2S — CID 130280414

IUPAC1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(C2C(N)CN(C3CCCCCCCCC3)CC2F)CC1
InChIInChI=1S/C22H43FN4O2S/c1-25(2)30(28,29)19-12-14-26(15-13-19)22-20(23)16-27(17-21(22)24)18-10-8-6-4-3-5-7-9-11-18/h18-22H,3-17,24H2,1-2H3
InChIKeyOCDITYJVEWRXSQ-UHFFFAOYSA-N
MW446.68 g/mol
LogP2.58
Rot. Bonds4

About 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide

1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide (PubChem CID 130280414) has the molecular formula C22H43FN4O2S and a molecular weight of 446.68 g/mol. Its IUPAC name is 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
PubChem CID130280414
Molecular FormulaC22H43FN4O2S
Molecular Weight446.68 g/mol
Exact Mass446.31
IUPAC Name1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCN(C2C(N)CN(C3CCCCCCCCC3)CC2F)CC1
InChIInChI=1S/C22H43FN4O2S/c1-25(2)30(28,29)19-12-14-26(15-13-19)22-20(23)16-27(17-21(22)24)18-10-8-6-4-3-5-7-9-11-18/h18-22H,3-17,24H2,1-2H3
InChIKeyOCDITYJVEWRXSQ-UHFFFAOYSA-N
XLogP2.58
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-5-fluoropiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 123425452
1-(3-amino-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 123725074
1-(3-amino-5-fluoro-1-methylpiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 129134563
1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 134321932
1-(3-amino-5-fluoro-1-pentylpiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 156302508
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine
CID 59367722
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine
CID 66754979
(S)-1-(1-Methylpiperidin-4-yl)-4-(3-(pyrrolidin-2-yl)propylsulfonyl)piperazine hydrochloride
CID 66755244
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine;hydrochloride
CID 66755245
1-[3-(4-Methylpiperazin-1-yl)propylsulfonyl]piperidin-4-amine
CID 67404676
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
1-[(2S)-1-methylpiperidin-2-yl]propan-2-amine;(2S)-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 161446641

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The IUPAC name of 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide (CID 130280414) is 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The canonical SMILES for 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide is CN(C)S(=O)(=O)C1CCN(C2C(N)CN(C3CCCCCCCCC3)CC2F)CC1.
What is the InChIKey of 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The InChIKey is OCDITYJVEWRXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43FN4O2S/c1-25(2)30(28,29)19-12-14-26(15-13-19)22-20(23)16-27(17-21(22)24)18-10-8-6-4-3-5-7-9-11-18/h18-22H,3-17,24H2,1-2H3.
What are the key properties of 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide has a molecular weight of 446.68 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide is sourced from PubChem (CID 130280414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).