N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide

C29H41N3O2S — CID 139889293

IUPACN-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCN1CCC(CNCC23CC4CC(CC(C4)C2)C3)CC1)c1cccc2ccccc12
InChIInChI=1S/C29H41N3O2S/c33-35(34,28-7-3-5-26-4-1-2-6-27(26)28)31-10-13-32-11-8-22(9-12-32)20-30-21-29-17-23-14-24(18-29)16-25(15-23)19-29/h1-7,22-25,30-31H,8-21H2
InChIKeyVBVWFVNKIMHVHQ-UHFFFAOYSA-N
MW495.73 g/mol
LogP4.64
Rot. Bonds9

About N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide

N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide (PubChem CID 139889293) has the molecular formula C29H41N3O2S and a molecular weight of 495.73 g/mol. Its IUPAC name is N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
PubChem CID139889293
Molecular FormulaC29H41N3O2S
Molecular Weight495.73 g/mol
Exact Mass495.29
IUPAC NameN-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCCN1CCC(CNCC23CC4CC(CC(C4)C2)C3)CC1)c1cccc2ccccc12
InChIInChI=1S/C29H41N3O2S/c33-35(34,28-7-3-5-26-4-1-2-6-27(26)28)31-10-13-32-11-8-22(9-12-32)20-30-21-29-17-23-14-24(18-29)16-25(15-23)19-29/h1-7,22-25,30-31H,8-21H2
InChIKeyVBVWFVNKIMHVHQ-UHFFFAOYSA-N
XLogP4.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.73
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(naphthalen-1-ylsulfonylamino)ethyl]piperidin-4-yl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 139889286
N-[[1-[2-(naphthalen-1-ylsulfonylamino)ethyl]piperidin-4-yl]methyl]-2,3-dihydro-1-benzoxepine-4-carboxamide
CID 139889317
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]naphthalene-1-sulfonamide;hydrochloride
CID 173425758
N-[(2-methoxy-2-adamantyl)methyl]naphthalene-1-sulfonamide
CID 90624243
N-[3-(3-methylpyrrolidin-1-yl)propyl]naphthalene-1-sulfonamide;hydrate
CID 142259991
N-[2-(2-phenylmorpholin-4-yl)ethyl]naphthalene-1-sulfonamide
CID 16892719
N-[(2R)-2-hydroxy-4-pyrrolidin-1-ylbutyl]naphthalene-1-sulfonamide
CID 10286805
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 121108399
N-[2-(1-adamantyl)ethyl]-4-ethoxynaphthalene-1-sulfonamide
CID 3605939
N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
CID 139969441
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 121139409

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide (CID 139889293) is N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide is O=S(=O)(NCCN1CCC(CNCC23CC4CC(CC(C4)C2)C3)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide?
The InChIKey is VBVWFVNKIMHVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O2S/c33-35(34,28-7-3-5-26-4-1-2-6-27(26)28)31-10-13-32-11-8-22(9-12-32)20-30-21-29-17-23-14-24(18-29)16-25(15-23)19-29/h1-7,22-25,30-31H,8-21H2.
What are the key properties of N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide?
N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide has a molecular weight of 495.73 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-adamantylmethylamino)methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 139889293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).