N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide

C15H23N3OS — CID 43296275

IUPACN-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N(C)C1CCSC1
InChIInChI=1S/C15H23N3OS/c1-10-13(16)5-4-6-14(10)17-15(19)11(2)18(3)12-7-8-20-9-12/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyFXYWAYYMKBAAFZ-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.34
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide

N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide (PubChem CID 43296275) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
PubChem CID43296275
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)N(C)C1CCSC1
InChIInChI=1S/C15H23N3OS/c1-10-13(16)5-4-6-14(10)17-15(19)11(2)18(3)12-7-8-20-9-12/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyFXYWAYYMKBAAFZ-UHFFFAOYSA-N
XLogP2.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide (CID 43296275) is N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide is Cc1c(N)cccc1NC(=O)C(C)N(C)C1CCSC1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide?
The InChIKey is FXYWAYYMKBAAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-13(16)5-4-6-14(10)17-15(19)11(2)18(3)12-7-8-20-9-12/h4-6,11-12H,7-9,16H2,1-3H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide?
N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide has a molecular weight of 293.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-[methyl(thiolan-3-yl)amino]propanamide is sourced from PubChem (CID 43296275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).