N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine

C17H23NO2S — CID 64705187

IUPACN-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2S/c1-4-18-13(2)11-14(3)21(19,20)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12-14,18H,4,11H2,1-3H3
InChIKeyJTFODFPIRUIAAN-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.39
Rot. Bonds6

About N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine

N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine (PubChem CID 64705187) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine
PubChem CID64705187
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC NameN-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine
SMILESCCNC(C)CC(C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO2S/c1-4-18-13(2)11-14(3)21(19,20)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12-14,18H,4,11H2,1-3H3
InChIKeyJTFODFPIRUIAAN-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine
CID 64703972
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
N-[(2S)-1-[[(2R)-butan-2-yl]amino]propan-2-yl]naphthalene-2-sulfonamide
CID 163796605
N-ethyl-2-ethylsulfonyl-1-naphthalen-2-ylethanamine
CID 64646583
3-(ethylamino)-4-naphthalen-2-ylsulfonylbutan-1-ol
CID 64899704
3-naphthalen-2-ylsulfonylheptan-4-amine
CID 64644938
propan-2-yl naphthalene-2-sulfonate
CID 54505211
diethyl 2-naphthalen-2-ylsulfonylpropanedioate
CID 134066731
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
2-(2-naphthalen-2-ylsulfonylsulfanylethylsulfanylsulfonyl)naphthalene
CID 581617
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine?
The IUPAC name of N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine (CID 64705187) is N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine?
The canonical SMILES for N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine is CCNC(C)CC(C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine?
The InChIKey is JTFODFPIRUIAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-4-18-13(2)11-14(3)21(19,20)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12-14,18H,4,11H2,1-3H3.
What are the key properties of N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine?
N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine has a molecular weight of 305.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine is sourced from PubChem (CID 64705187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).