3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide

C11H20N2OS — CID 66031482

IUPAC3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCC(N)C1)C1CCSC1
InChIInChI=1S/C11H20N2OS/c1-13(10-4-5-15-7-10)11(14)8-2-3-9(12)6-8/h8-10H,2-7,12H2,1H3
InChIKeyZLCDBVWGEFZPMS-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.08
Rot. Bonds2

About 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide

3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide (PubChem CID 66031482) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide
PubChem CID66031482
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCC(N)C1)C1CCSC1
InChIInChI=1S/C11H20N2OS/c1-13(10-4-5-15-7-10)11(14)8-2-3-9(12)6-8/h8-10H,2-7,12H2,1H3
InChIKeyZLCDBVWGEFZPMS-UHFFFAOYSA-N
XLogP1.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide (CID 66031482) is 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide is CN(C(=O)C1CCC(N)C1)C1CCSC1.
What is the InChIKey of 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide?
The InChIKey is ZLCDBVWGEFZPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-13(10-4-5-15-7-10)11(14)8-2-3-9(12)6-8/h8-10H,2-7,12H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide?
3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(thiolan-3-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 66031482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).