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

C13H26N2OS — CID 79668421

IUPACN-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)C1CCSC1
InChIInChI=1S/C13H26N2OS/c1-4-6-15(10-13(2,3)9-14)12(16)11-5-7-17-8-11/h11H,4-10,14H2,1-3H3
InChIKeyAMDYDSWNPLANHY-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.96
Rot. Bonds6

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

N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide (PubChem CID 79668421) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide
PubChem CID79668421
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide
SMILESCCCN(CC(C)(C)CN)C(=O)C1CCSC1
InChIInChI=1S/C13H26N2OS/c1-4-6-15(10-13(2,3)9-14)12(16)11-5-7-17-8-11/h11H,4-10,14H2,1-3H3
InChIKeyAMDYDSWNPLANHY-UHFFFAOYSA-N
XLogP1.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.96
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-propylthiolane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide (CID 79668421) is N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide is CCCN(CC(C)(C)CN)C(=O)C1CCSC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide?
The InChIKey is AMDYDSWNPLANHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-6-15(10-13(2,3)9-14)12(16)11-5-7-17-8-11/h11H,4-10,14H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 1.96, 6 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-propylthiolane-3-carboxamide is sourced from PubChem (CID 79668421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).