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

C24H31N3O2S — CID 10274016

IUPACN-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide
SMILESCCN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H31N3O2S/c1-2-27(16-5-6-20-9-11-21(19-25)12-10-20)17-15-26-30(28,29)24-14-13-22-7-3-4-8-23(22)18-24/h3-4,7-14,18,26H,2,5-6,15-17,19,25H2,1H3
InChIKeyNSKORRZDVQNVKS-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.53
Rot. Bonds11

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

N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide (PubChem CID 10274016) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide
PubChem CID10274016
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide
SMILESCCN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H31N3O2S/c1-2-27(16-5-6-20-9-11-21(19-25)12-10-20)17-15-26-30(28,29)24-14-13-22-7-3-4-8-23(22)18-24/h3-4,7-14,18,26H,2,5-6,15-17,19,25H2,1H3
InChIKeyNSKORRZDVQNVKS-UHFFFAOYSA-N
XLogP3.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide (CID 10274016) is N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide is CCN(CCCc1ccc(CN)cc1)CCNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide?
The InChIKey is NSKORRZDVQNVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-2-27(16-5-6-20-9-11-21(19-25)12-10-20)17-15-26-30(28,29)24-14-13-22-7-3-4-8-23(22)18-24/h3-4,7-14,18,26H,2,5-6,15-17,19,25H2,1H3.
What are the key properties of N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide?
N-[2-[3-[4-(aminomethyl)phenyl]propyl-ethylamino]ethyl]naphthalene-2-sulfonamide has a molecular weight of 425.60 g/mol, XLogP of 3.53, 11 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-ethylamino]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 10274016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).