[1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

C16H20Cl2N2O2S — CID 120777323

IUPAC[1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)C1.Cl
InChIInChI=1S/C16H19ClN2O2S.ClH/c1-16(10-18)8-9-19(11-16)22(20,21)15-7-6-14(17)12-4-2-3-5-13(12)15;/h2-7H,8-11,18H2,1H3;1H
InChIKeyVCXMZVOHEVDLKT-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.27
Rot. Bonds3

About [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride

[1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120777323) has the molecular formula C16H20Cl2N2O2S and a molecular weight of 375.32 g/mol. Its IUPAC name is [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120777323
Molecular FormulaC16H20Cl2N2O2S
Molecular Weight375.32 g/mol
Exact Mass374.06
IUPAC Name[1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCC1(CN)CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)C1.Cl
InChIInChI=1S/C16H19ClN2O2S.ClH/c1-16(10-18)8-9-19(11-16)22(20,21)15-7-6-14(17)12-4-2-3-5-13(12)15;/h2-7H,8-11,18H2,1H3;1H
InChIKeyVCXMZVOHEVDLKT-UHFFFAOYSA-N
XLogP3.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-ethoxynaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777569
[1-(5-bromo-2-chlorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777267
[1-(2-bromo-3-chlorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777357
[3-methyl-1-(2-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777820
[1-(4-chloro-2-fluorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777955
[1-(benzenesulfonyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777513
[1-(4-fluoro-2-methylphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777543
[1-(2,3-dichloro-4-methoxyphenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine
CID 120777876
[3-methyl-1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 120777370
[3-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120777223
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 120777245
[1-(4-bromo-3-chlorophenyl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120778219

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120777323) is [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is CC1(CN)CCN(S(=O)(=O)c2ccc(Cl)c3ccccc23)C1.Cl.
What is the InChIKey of [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is VCXMZVOHEVDLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S.ClH/c1-16(10-18)8-9-19(11-16)22(20,21)15-7-6-14(17)12-4-2-3-5-13(12)15;/h2-7H,8-11,18H2,1H3;1H.
What are the key properties of [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride?
[1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 375.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloronaphthalen-1-yl)sulfonyl-3-methylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120777323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).