4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride

C16H22ClFN2O3S — CID 167917016

IUPAC4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride
SMILESCN1CCCC12CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)CC2.Cl
InChIInChI=1S/C16H21FN2O3S.ClH/c1-18-10-2-7-16(18)8-11-19(12-9-16)15(20)13-3-5-14(6-4-13)23(17,21)22;/h3-6H,2,7-12H2,1H3;1H
InChIKeySFZOGOPVMTWWHY-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.47
Rot. Bonds2

About 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride

4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride (PubChem CID 167917016) has the molecular formula C16H22ClFN2O3S and a molecular weight of 376.88 g/mol. Its IUPAC name is 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride
PubChem CID167917016
Molecular FormulaC16H22ClFN2O3S
Molecular Weight376.88 g/mol
Exact Mass376.10
IUPAC Name4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride
SMILESCN1CCCC12CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)CC2.Cl
InChIInChI=1S/C16H21FN2O3S.ClH/c1-18-10-2-7-16(18)8-11-19(12-9-16)15(20)13-3-5-14(6-4-13)23(17,21)22;/h3-6H,2,7-12H2,1H3;1H
InChIKeySFZOGOPVMTWWHY-UHFFFAOYSA-N
XLogP2.47
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
(4-chloro-3-fluorophenyl)-(1-methyl-1,9-diazaspiro[4.6]undecan-9-yl)methanone;2,2,2-trifluoroacetic acid
CID 155867549
(4-tert-butylphenyl)-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)methanone
CID 121450337
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
CID 155901303
(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778414
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 107160093
(4-methyl-1,4-diazepan-1-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 136575619
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(4-fluorophenyl)methanone
CID 97451330
phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493644
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97493563

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride?
The IUPAC name of 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride (CID 167917016) is 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride.
What is the SMILES notation for 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride?
The canonical SMILES for 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride is CN1CCCC12CCN(C(=O)c1ccc(S(=O)(=O)F)cc1)CC2.Cl.
What is the InChIKey of 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride?
The InChIKey is SFZOGOPVMTWWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S.ClH/c1-18-10-2-7-16(18)8-11-19(12-9-16)15(20)13-3-5-14(6-4-13)23(17,21)22;/h3-6H,2,7-12H2,1H3;1H.
What are the key properties of 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride?
4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-1,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 167917016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).