3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide

C16H22N2O2S — CID 106062043

IUPAC3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCc1cccc2ccccc12
InChIInChI=1S/C16H22N2O2S/c1-2-17-11-6-12-21(19,20)18-13-15-9-5-8-14-7-3-4-10-16(14)15/h3-5,7-10,17-18H,2,6,11-13H2,1H3
InChIKeyKXOOILMTVLAXNB-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.26
Rot. Bonds8

About 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide

3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide (PubChem CID 106062043) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
PubChem CID106062043
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCc1cccc2ccccc12
InChIInChI=1S/C16H22N2O2S/c1-2-17-11-6-12-21(19,20)18-13-15-9-5-8-14-7-3-4-10-16(14)15/h3-5,7-10,17-18H,2,6,11-13H2,1H3
InChIKeyKXOOILMTVLAXNB-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54972142
3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
CID 106088955
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
N-[(2,4-difluorophenyl)methyl]-3-(ethylamino)propane-1-sulfonamide
CID 106055202
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
CID 118724860
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
CID 59694789
CID 59694789
3-(2-naphthalen-1-ylethylamino)propane-1-sulfonic acid
CID 87095275
4-(ethylamino)-N-[(3-methyl-4-pyridinyl)methyl]butane-1-sulfonamide
CID 106083535
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide (CID 106062043) is 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide is CCNCCCS(=O)(=O)NCc1cccc2ccccc12.
What is the InChIKey of 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide?
The InChIKey is KXOOILMTVLAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-2-17-11-6-12-21(19,20)18-13-15-9-5-8-14-7-3-4-10-16(14)15/h3-5,7-10,17-18H,2,6,11-13H2,1H3.
What are the key properties of 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide?
3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 106062043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).