2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide

C8H18N2O2S — CID 81202479

IUPAC2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)CC(C)CN
InChIInChI=1S/C8H18N2O2S/c1-6(4-9)5-13(12)7(2)8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyVLAIHMASNBDUHB-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.54
Rot. Bonds5

About 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide

2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide (PubChem CID 81202479) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide
PubChem CID81202479
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide
SMILESCNC(=O)C(C)S(=O)CC(C)CN
InChIInChI=1S/C8H18N2O2S/c1-6(4-9)5-13(12)7(2)8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyVLAIHMASNBDUHB-UHFFFAOYSA-N
XLogP-0.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide (CID 81202479) is 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide is CNC(=O)C(C)S(=O)CC(C)CN.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide?
The InChIKey is VLAIHMASNBDUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-6(4-9)5-13(12)7(2)8(11)10-3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide?
2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide has a molecular weight of 206.31 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfinyl-N-methylpropanamide is sourced from PubChem (CID 81202479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).