N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide

C13H27N3OS — CID 71859652

IUPACN-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCC(CCN(C)C)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C13H27N3OS/c1-11(6-7-15(4)5)14-12(17)16-8-9-18-13(2,3)10-16/h11H,6-10H2,1-5H3,(H,14,17)
InChIKeyRZGGEDUQPBQQCC-UHFFFAOYSA-N
MW273.45 g/mol
LogP1.86
Rot. Bonds4

About N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide

N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide (PubChem CID 71859652) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide
PubChem CID71859652
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide
SMILESCC(CCN(C)C)NC(=O)N1CCSC(C)(C)C1
InChIInChI=1S/C13H27N3OS/c1-11(6-7-15(4)5)14-12(17)16-8-9-18-13(2,3)10-16/h11H,6-10H2,1-5H3,(H,14,17)
InChIKeyRZGGEDUQPBQQCC-UHFFFAOYSA-N
XLogP1.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide (CID 71859652) is N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide is CC(CCN(C)C)NC(=O)N1CCSC(C)(C)C1.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide?
The InChIKey is RZGGEDUQPBQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-11(6-7-15(4)5)14-12(17)16-8-9-18-13(2,3)10-16/h11H,6-10H2,1-5H3,(H,14,17).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide?
N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide has a molecular weight of 273.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71859652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).