N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide

C19H26N2O3S — CID 68700529

IUPACN-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESC=CCOC[C@H](CCCN)NS(=O)(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C19H26N2O3S/c1-3-13-24-14-16(7-6-12-20)21-25(22,23)19-11-10-15(2)17-8-4-5-9-18(17)19/h3-5,8-11,16,21H,1,6-7,12-14,20H2,2H3/t16-/m0/s1
InChIKeyWLMJKUOAROYEHW-INIZCTEOSA-N
MW362.50 g/mol
LogP2.74
Rot. Bonds10

About N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide

N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide (PubChem CID 68700529) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
PubChem CID68700529
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide
SMILESC=CCOC[C@H](CCCN)NS(=O)(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C19H26N2O3S/c1-3-13-24-14-16(7-6-12-20)21-25(22,23)19-11-10-15(2)17-8-4-5-9-18(17)19/h3-5,8-11,16,21H,1,6-7,12-14,20H2,2H3/t16-/m0/s1
InChIKeyWLMJKUOAROYEHW-INIZCTEOSA-N
XLogP2.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The IUPAC name of N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide (CID 68700529) is N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The canonical SMILES for N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide is C=CCOC[C@H](CCCN)NS(=O)(=O)c1ccc(C)c2ccccc12.
What is the InChIKey of N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
The InChIKey is WLMJKUOAROYEHW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-3-13-24-14-16(7-6-12-20)21-25(22,23)19-11-10-15(2)17-8-4-5-9-18(17)19/h3-5,8-11,16,21H,1,6-7,12-14,20H2,2H3/t16-/m0/s1.
What are the key properties of N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide?
N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide has a molecular weight of 362.50 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-amino-1-prop-2-enoxypentan-2-yl]-4-methylnaphthalene-1-sulfonamide is sourced from PubChem (CID 68700529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).