N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide

C16H20N2O2S — CID 114795586

IUPACN-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H20N2O2S/c1-18(15(11-17)13-9-10-13)21(19,20)16-8-4-6-12-5-2-3-7-14(12)16/h2-8,13,15H,9-11,17H2,1H3
InChIKeyGPZUATWCJRFNCC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.20
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide

N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide (PubChem CID 114795586) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
PubChem CID114795586
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide
SMILESCN(C(CN)C1CC1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H20N2O2S/c1-18(15(11-17)13-9-10-13)21(19,20)16-8-4-6-12-5-2-3-7-14(12)16/h2-8,13,15H,9-11,17H2,1H3
InChIKeyGPZUATWCJRFNCC-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide (CID 114795586) is N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide is CN(C(CN)C1CC1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide?
The InChIKey is GPZUATWCJRFNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(15(11-17)13-9-10-13)21(19,20)16-8-4-6-12-5-2-3-7-14(12)16/h2-8,13,15H,9-11,17H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide?
N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 114795586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).