N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide

C23H29N3O2S — CID 10112313

IUPACN-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide
SMILESCN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H29N3O2S/c1-26(15-4-5-19-8-10-20(18-24)11-9-19)16-14-25-29(27,28)23-13-12-21-6-2-3-7-22(21)17-23/h2-3,6-13,17,25H,4-5,14-16,18,24H2,1H3
InChIKeyJHMVBRYMDMZHLU-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.14
Rot. Bonds10

About N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide

N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide (PubChem CID 10112313) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide
PubChem CID10112313
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide
SMILESCN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C23H29N3O2S/c1-26(15-4-5-19-8-10-20(18-24)11-9-19)16-14-25-29(27,28)23-13-12-21-6-2-3-7-22(21)17-23/h2-3,6-13,17,25H,4-5,14-16,18,24H2,1H3
InChIKeyJHMVBRYMDMZHLU-UHFFFAOYSA-N
XLogP3.14
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]benzenesulfonamide
CID 24886136
4-{2-[(Naphthalen-1-ylmethyl)amino]ethyl}benzenesulfonamide
CID 4718107
N-[3-(dimethylamino)propyl]naphthalene-2-sulfonamide
CID 2200900
Naphthalene-2-sulfonic acid (4-{[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-amide
CID 9806472
Naphthalene-2-sulfonic acid (4-{[(naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-amide
CID 10005032
(S)-3-(4-Aminomethyl-phenyl)-N-isopropyl-N-methyl-2-(naphthalene-2-sulfonylamino)-propionamide
CID 10048854
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 10111743
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 10271568
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)naphthalene-2-sulfonamide
CID 10294248
N-(2-((3-(4-(Aminomethyl)phenyl)propyl)amino)ethyl)-1-chloronaphthalene-2-sulfonamide
CID 10296435
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-1-sulfonamide
CID 11560285
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-2-sulfonamide
CID 11610908

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide (CID 10112313) is N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide is CN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide?
The InChIKey is JHMVBRYMDMZHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-26(15-4-5-19-8-10-20(18-24)11-9-19)16-14-25-29(27,28)23-13-12-21-6-2-3-7-22(21)17-23/h2-3,6-13,17,25H,4-5,14-16,18,24H2,1H3.
What are the key properties of N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide?
N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide has a molecular weight of 411.57 g/mol, XLogP of 3.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10112313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).