N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide

C12H24N2OS — CID 79668560

IUPACN-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)C1CCCS1
InChIInChI=1S/C12H24N2OS/c1-4-14(9-12(2,3)8-13)11(15)10-6-5-7-16-10/h10H,4-9,13H2,1-3H3
InChIKeyCGHFAROITFFONJ-UHFFFAOYSA-N
MW244.40 g/mol
LogP1.72
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide (PubChem CID 79668560) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide
PubChem CID79668560
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide
SMILESCCN(CC(C)(C)CN)C(=O)C1CCCS1
InChIInChI=1S/C12H24N2OS/c1-4-14(9-12(2,3)8-13)11(15)10-6-5-7-16-10/h10H,4-9,13H2,1-3H3
InChIKeyCGHFAROITFFONJ-UHFFFAOYSA-N
XLogP1.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide (CID 79668560) is N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide is CCN(CC(C)(C)CN)C(=O)C1CCCS1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide?
The InChIKey is CGHFAROITFFONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-4-14(9-12(2,3)8-13)11(15)10-6-5-7-16-10/h10H,4-9,13H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide has a molecular weight of 244.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-ethylthiolane-2-carboxamide is sourced from PubChem (CID 79668560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).