2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide

C11H20N2OS — CID 60867525

IUPAC2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide
SMILESCN(C(=O)C(C)(N)C1CC1)C1CCSC1
InChIInChI=1S/C11H20N2OS/c1-11(12,8-3-4-8)10(14)13(2)9-5-6-15-7-9/h8-9H,3-7,12H2,1-2H3
InChIKeySYGUWKPGOOTKCG-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.08
Rot. Bonds3

About 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide

2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide (PubChem CID 60867525) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide
PubChem CID60867525
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide
SMILESCN(C(=O)C(C)(N)C1CC1)C1CCSC1
InChIInChI=1S/C11H20N2OS/c1-11(12,8-3-4-8)10(14)13(2)9-5-6-15-7-9/h8-9H,3-7,12H2,1-2H3
InChIKeySYGUWKPGOOTKCG-UHFFFAOYSA-N
XLogP1.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide (CID 60867525) is 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide is CN(C(=O)C(C)(N)C1CC1)C1CCSC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide?
The InChIKey is SYGUWKPGOOTKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(12,8-3-4-8)10(14)13(2)9-5-6-15-7-9/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide?
2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide has a molecular weight of 228.36 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-methyl-N-(thiolan-3-yl)propanamide is sourced from PubChem (CID 60867525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).