N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide

C12H22N2OS — CID 116651932

IUPACN-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide
SMILESCN(C(=O)C1(C)CCCS1)C(CN)C1CC1
InChIInChI=1S/C12H22N2OS/c1-12(6-3-7-16-12)11(15)14(2)10(8-13)9-4-5-9/h9-10H,3-8,13H2,1-2H3
InChIKeyORRPTOGWKCWRRC-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.47
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide (PubChem CID 116651932) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide
PubChem CID116651932
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide
SMILESCN(C(=O)C1(C)CCCS1)C(CN)C1CC1
InChIInChI=1S/C12H22N2OS/c1-12(6-3-7-16-12)11(15)14(2)10(8-13)9-4-5-9/h9-10H,3-8,13H2,1-2H3
InChIKeyORRPTOGWKCWRRC-UHFFFAOYSA-N
XLogP1.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide (CID 116651932) is N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide is CN(C(=O)C1(C)CCCS1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide?
The InChIKey is ORRPTOGWKCWRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(6-3-7-16-12)11(15)14(2)10(8-13)9-4-5-9/h9-10H,3-8,13H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide is sourced from PubChem (CID 116651932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).