N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide

C23H30N4O2S — CID 142209825

IUPACN-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide
SMILESCc1c(S(=O)(=O)NCCN(C)CCCc2ccc(CN)nc2)ccc2ccccc12
InChIInChI=1S/C23H30N4O2S/c1-18-22-8-4-3-7-20(22)10-12-23(18)30(28,29)26-13-15-27(2)14-5-6-19-9-11-21(16-24)25-17-19/h3-4,7-12,17,26H,5-6,13-16,24H2,1-2H3
InChIKeyIUHGCYKCEXJEMJ-UHFFFAOYSA-N
MW426.59 g/mol
LogP2.84
Rot. Bonds10

About N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide

N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide (PubChem CID 142209825) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide
PubChem CID142209825
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide
SMILESCc1c(S(=O)(=O)NCCN(C)CCCc2ccc(CN)nc2)ccc2ccccc12
InChIInChI=1S/C23H30N4O2S/c1-18-22-8-4-3-7-20(22)10-12-23(18)30(28,29)26-13-15-27(2)14-5-6-19-9-11-21(16-24)25-17-19/h3-4,7-12,17,26H,5-6,13-16,24H2,1-2H3
InChIKeyIUHGCYKCEXJEMJ-UHFFFAOYSA-N
XLogP2.84
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Isoquinolinylsulfonyl)-2-Methylpiperazine
CID 3542
N-(2-(Methylamino)ethyl)-5-isoquinolinesulfonamide
CID 3540
N-(2-Aminoethyl)isoquinoline-5-sulfonamide
CID 3544
H-1152
CID 448043
1-(5-Isoquinolinylsulfonyl)piperazine
CID 3545
N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
CID 3546
4-Bromo-N-(2-pyridinylmethyl)-1-naphthalenesulfonamide
CID 1125790
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
iso-H 7
CID 1352
5-{[(2S)-2-methylpiperazin-1-yl]sulfonyl}isoquinoline
CID 449240
2,3,5,6-tetramethyl-N-pyridin-3-ylbenzenesulfonamide
CID 842946
3-{1-[(2,3,4-Trimethylphenyl)sulfonyl]piperidin-2-yl}pyridine
CID 4563535

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide (CID 142209825) is N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide is Cc1c(S(=O)(=O)NCCN(C)CCCc2ccc(CN)nc2)ccc2ccccc12.
What is the InChIKey of N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide?
The InChIKey is IUHGCYKCEXJEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-18-22-8-4-3-7-20(22)10-12-23(18)30(28,29)26-13-15-27(2)14-5-6-19-9-11-21(16-24)25-17-19/h3-4,7-12,17,26H,5-6,13-16,24H2,1-2H3.
What are the key properties of N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide?
N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide has a molecular weight of 426.59 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[6-(aminomethyl)-3-pyridinyl]propyl-methylamino]ethyl]-1-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 142209825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).