(2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C25H35N3O3S — CID 172562628

IUPAC(2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CCN(S(=O)(=O)c2cccnc2)CC1)[C@@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C25H35N3O3S/c1-3-14-27(22-9-10-24-21(17-22)6-4-8-25(24)31-2)19-20-11-15-28(16-12-20)32(29,30)23-7-5-13-26-18-23/h4-8,13,18,20,22H,3,9-12,14-17,19H2,1-2H3/t22-/m1/s1
InChIKeyLSGDKNMZXHYCOX-JOCHJYFZSA-N
MW457.64 g/mol
LogP3.76
Rot. Bonds8

About (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

(2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 172562628) has the molecular formula C25H35N3O3S and a molecular weight of 457.64 g/mol. Its IUPAC name is (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID172562628
Molecular FormulaC25H35N3O3S
Molecular Weight457.64 g/mol
Exact Mass457.24
IUPAC Name(2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CCN(S(=O)(=O)c2cccnc2)CC1)[C@@H]1CCc2c(cccc2OC)C1
InChIInChI=1S/C25H35N3O3S/c1-3-14-27(22-9-10-24-21(17-22)6-4-8-25(24)31-2)19-20-11-15-28(16-12-20)32(29,30)23-7-5-13-26-18-23/h4-8,13,18,20,22H,3,9-12,14-17,19H2,1-2H3/t22-/m1/s1
InChIKeyLSGDKNMZXHYCOX-JOCHJYFZSA-N
XLogP3.76
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.64
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
(2R)-5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562626
5-methoxy-N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 172562601
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 158457147
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
N-[4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]-4-pyridin-3-ylbenzamide
CID 19592098
5-methoxy-N-(2-phenylethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12581206
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698
2-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 63878235
4-methoxy-3-methyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]benzenesulfonamide
CID 90521254
N-propyl-N'-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]oxamide
CID 90521045

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 172562628) is (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CC1CCN(S(=O)(=O)c2cccnc2)CC1)[C@@H]1CCc2c(cccc2OC)C1.
What is the InChIKey of (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LSGDKNMZXHYCOX-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H35N3O3S/c1-3-14-27(22-9-10-24-21(17-22)6-4-8-25(24)31-2)19-20-11-15-28(16-12-20)32(29,30)23-7-5-13-26-18-23/h4-8,13,18,20,22H,3,9-12,14-17,19H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
(2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 457.64 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-N-propyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 172562628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).