1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine

C17H21ClN2O2S — CID 120779236

IUPAC1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2c(Cl)ccc3ccccc23)CCC1N
InChIInChI=1S/C17H21ClN2O2S/c1-17(2)11-20(10-9-15(17)19)23(21,22)16-13-6-4-3-5-12(13)7-8-14(16)18/h3-8,15H,9-11,19H2,1-2H3
InChIKeyXCTRZZFNFMBSTA-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.24
Rot. Bonds2

About 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine

1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine (PubChem CID 120779236) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
PubChem CID120779236
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC Name1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CN(S(=O)(=O)c2c(Cl)ccc3ccccc23)CCC1N
InChIInChI=1S/C17H21ClN2O2S/c1-17(2)11-20(10-9-15(17)19)23(21,22)16-13-6-4-3-5-12(13)7-8-14(16)18/h3-8,15H,9-11,19H2,1-2H3
InChIKeyXCTRZZFNFMBSTA-UHFFFAOYSA-N
XLogP3.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779997
1-(5-chlorothiophen-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779861
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
1-isoquinolin-5-ylsulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779179
3,3-dimethyl-1-(1H-pyrrol-3-ylsulfonyl)piperidin-4-amine
CID 114267693
1-(3-iodophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120778940
3,3-dimethyl-1-[(2-methylphenyl)methylsulfonyl]piperidin-4-amine
CID 120779763
1-(5-bromofuran-2-yl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120778987
1-[(5-chloro-1-benzothiophen-3-yl)sulfonyl]-3,3-dimethylpiperidin-4-amine
CID 120779638
1-(2-fluoro-6-nitrophenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779606
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779646
3,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 115269791

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine (CID 120779236) is 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine is CC1(C)CN(S(=O)(=O)c2c(Cl)ccc3ccccc23)CCC1N.
What is the InChIKey of 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
The InChIKey is XCTRZZFNFMBSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-17(2)11-20(10-9-15(17)19)23(21,22)16-13-6-4-3-5-12(13)7-8-14(16)18/h3-8,15H,9-11,19H2,1-2H3.
What are the key properties of 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine?
1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine has a molecular weight of 352.89 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloronaphthalen-1-yl)sulfonyl-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 120779236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).