7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C21H34N2O3S — CID 22560624

IUPAC7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(C1CCc2ccc(OC)cc2C1)C(C1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C21H34N2O3S/c1-4-13-23(21(27(3,24)25)17-9-11-22-12-10-17)19-7-5-16-6-8-20(26-2)15-18(16)14-19/h6,8,15,17,19,21-22H,4-5,7,9-14H2,1-3H3
InChIKeyKVGWLXCCCRKOJE-UHFFFAOYSA-N
MW394.58 g/mol
LogP2.63
Rot. Bonds7

About 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 22560624) has the molecular formula C21H34N2O3S and a molecular weight of 394.58 g/mol. Its IUPAC name is 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID22560624
Molecular FormulaC21H34N2O3S
Molecular Weight394.58 g/mol
Exact Mass394.23
IUPAC Name7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(C1CCc2ccc(OC)cc2C1)C(C1CCNCC1)S(C)(=O)=O
InChIInChI=1S/C21H34N2O3S/c1-4-13-23(21(27(3,24)25)17-9-11-22-12-10-17)19-7-5-16-6-8-20(26-2)15-18(16)14-19/h6,8,15,17,19,21-22H,4-5,7,9-14H2,1-3H3
InChIKeyKVGWLXCCCRKOJE-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
CID 115510861
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
CID 45139976
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486652
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]-N-propan-2-ylpiperidine-1-carboxamide
CID 69361135
2-[cyclopropyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511160
ethyl 2-hydroxy-2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetate
CID 113325923
7-methoxy-2-[propan-2-yl(propyl)amino]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79247603
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119303183
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpropanoic acid
CID 115511164
6-methoxy-2-N-propan-2-yl-2-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 43269499

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 22560624) is 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(C1CCc2ccc(OC)cc2C1)C(C1CCNCC1)S(C)(=O)=O.
What is the InChIKey of 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is KVGWLXCCCRKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3S/c1-4-13-23(21(27(3,24)25)17-9-11-22-12-10-17)19-7-5-16-6-8-20(26-2)15-18(16)14-19/h6,8,15,17,19,21-22H,4-5,7,9-14H2,1-3H3.
What are the key properties of 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 394.58 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[methylsulfonyl(piperidin-4-yl)methyl]-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 22560624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).