N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine

C17H22N2O2S — CID 119961093

IUPACN-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
SMILESCNCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H22N2O2S/c1-18-12-14-6-5-11-19(13-14)22(20,21)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,7-10,14,18H,5-6,11-13H2,1H3
InChIKeyKGKJWHFWJUMHQP-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.46
Rot. Bonds4

About N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine

N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine (PubChem CID 119961093) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
PubChem CID119961093
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine
SMILESCNCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H22N2O2S/c1-18-12-14-6-5-11-19(13-14)22(20,21)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,7-10,14,18H,5-6,11-13H2,1H3
InChIKeyKGKJWHFWJUMHQP-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-naphthalen-1-ylsulfonylpiperidine
CID 114795787
1-[1-(2-bromophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61203801
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
N-methyl-1-naphthalen-1-ylsulfonylpiperidin-3-amine;hydrochloride
CID 120714484
(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119968918
1-[(3R)-1-(2-chloro-3-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 124688243
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
[2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-phenylmethanone;hydrochloride
CID 120999042
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
N-methyl-1-[1-(3-phenylphenyl)sulfonylpiperidin-3-yl]methanamine;hydrochloride
CID 120998970
methyl 2-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 63264152

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine?
The IUPAC name of N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine (CID 119961093) is N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine is CNCC1CCCN(S(=O)(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine?
The InChIKey is KGKJWHFWJUMHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-18-12-14-6-5-11-19(13-14)22(20,21)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,7-10,14,18H,5-6,11-13H2,1H3.
What are the key properties of N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine?
N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine has a molecular weight of 318.44 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-3-yl)methanamine is sourced from PubChem (CID 119961093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).