1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide

C18H37FN4O2S — CID 134321932

IUPAC1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCCCCCCC1NCC(F)C(N2CCC(S(=O)(=O)N(C)C)CC2)C1N
InChIInChI=1S/C18H37FN4O2S/c1-4-5-6-7-8-16-17(20)18(15(19)13-21-16)23-11-9-14(10-12-23)26(24,25)22(2)3/h14-18,21H,4-13,20H2,1-3H3
InChIKeyNQDJYRXYCSLYOT-UHFFFAOYSA-N
MW392.59 g/mol
LogP1.32
Rot. Bonds8

About 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide

1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide (PubChem CID 134321932) has the molecular formula C18H37FN4O2S and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
PubChem CID134321932
Molecular FormulaC18H37FN4O2S
Molecular Weight392.59 g/mol
Exact Mass392.26
IUPAC Name1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
SMILESCCCCCCC1NCC(F)C(N2CCC(S(=O)(=O)N(C)C)CC2)C1N
InChIInChI=1S/C18H37FN4O2S/c1-4-5-6-7-8-16-17(20)18(15(19)13-21-16)23-11-9-14(10-12-23)26(24,25)22(2)3/h14-18,21H,4-13,20H2,1-3H3
InChIKeyNQDJYRXYCSLYOT-UHFFFAOYSA-N
XLogP1.32
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-1-cyclodecyl-5-fluoropiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 130280414
1-(3-amino-5-fluoropiperidin-4-yl)-N-(2-iodoethyl)-N-piperidin-4-ylpiperidine-4-sulfonamide
CID 138645809
1-(3-amino-5-fluoro-1-pentylpiperidin-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-4-sulfonamide
CID 156302508
1-(Piperidin-2-ylmethylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 62970740
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine
CID 59367722
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride
CID 66754977
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine;trihydrochloride
CID 66754978
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The IUPAC name of 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide (CID 134321932) is 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide.
What is the SMILES notation for 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The canonical SMILES for 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide is CCCCCCC1NCC(F)C(N2CCC(S(=O)(=O)N(C)C)CC2)C1N.
What is the InChIKey of 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
The InChIKey is NQDJYRXYCSLYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37FN4O2S/c1-4-5-6-7-8-16-17(20)18(15(19)13-21-16)23-11-9-14(10-12-23)26(24,25)22(2)3/h14-18,21H,4-13,20H2,1-3H3.
What are the key properties of 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide?
1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide has a molecular weight of 392.59 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide is sourced from PubChem (CID 134321932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).