(2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine

C18H33N3OS — CID 145230176

About (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine

(2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine (PubChem CID 145230176) has the molecular formula C18H33N3OS and a molecular weight of 339.55 g/mol. Its IUPAC name is (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine.

Molecular Properties

• Compound Name: (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine
• PubChem CID: 145230176
• Molecular Formula: C18H33N3OS
• Molecular Weight: 339.55 g/mol
• Exact Mass: 339.23
• IUPAC Name: (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine
• SMILES: CN(C)[C@H](CN)Cc1ccccc1.C[C@@H](Cc1ccsc1)NO.[H][H].[H][H]
• InChI: InChI=1S/C11H18N2.C7H11NOS.2H2/c1-13(2)11(9-12)8-10-6-4-3-5-7-10;1-6(8-9)4-7-2-3-10-5-7;;/h3-7,11H,8-9,12H2,1-2H3;2-3,5-6,8-9H,4H2,1H3;2*1H/t11-;6-;;/m00../s1
• InChIKey: LRKDXUXIWQKOIZ-SWOZWOJGSA-N
• XLogP: 3.27
• TPSA: 61.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.55
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine?

The IUPAC name of (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine (CID 145230176) is (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine.

What is the SMILES notation for (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine?

The canonical SMILES for (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine is CN(C)[C@H](CN)Cc1ccccc1.C[C@@H](Cc1ccsc1)NO.[H][H].[H][H].

What is the InChIKey of (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine?

The InChIKey is LRKDXUXIWQKOIZ-SWOZWOJGSA-N. The full InChI is InChI=1S/C11H18N2.C7H11NOS.2H2/c1-13(2)11(9-12)8-10-6-4-3-5-7-10;1-6(8-9)4-7-2-3-10-5-7;;/h3-7,11H,8-9,12H2,1-2H3;2-3,5-6,8-9H,4H2,1H3;2*1H/t11-;6-;;/m00../s1.

What are the key properties of (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine?

(2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine has a molecular weight of 339.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-N,2-N-dimethyl-3-phenylpropane-1,2-diamine;molecular hydrogen;N-[(2S)-1-thiophen-3-ylpropan-2-yl]hydroxylamine is sourced from PubChem (CID 145230176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).