2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

C14H27N3O3S — CID 63922912

IUPAC2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NC2CCCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H27N3O3S/c1-16(2)14(18)10-17-7-5-12(6-8-17)15-13-4-3-9-21(19,20)11-13/h12-13,15H,3-11H2,1-2H3
InChIKeyUNNAJQCTVSZEIJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP-0.29
Rot. Bonds4

About 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 63922912) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID63922912
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC Name2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NC2CCCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H27N3O3S/c1-16(2)14(18)10-17-7-5-12(6-8-17)15-13-4-3-9-21(19,20)11-13/h12-13,15H,3-11H2,1-2H3
InChIKeyUNNAJQCTVSZEIJ-UHFFFAOYSA-N
XLogP-0.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83202160
2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide
CID 63923725
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43763480
2-[4-[(2-hydroxy-2-methylpropyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 65103485
N,N-dimethyl-2-[4-[(4-methylpiperazin-1-yl)amino]piperidin-1-yl]acetamide
CID 83009899
N,N-dimethyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115338674
2-(4-aminoazepan-1-yl)-N,N-dimethylacetamide
CID 127011721
N-(1,1-dioxothiolan-3-yl)-1-(2-methylpropyl)piperidin-4-amine
CID 103718870
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide (CID 63922912) is 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(NC2CCCS(=O)(=O)C2)CC1.
What is the InChIKey of 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is UNNAJQCTVSZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-16(2)14(18)10-17-7-5-12(6-8-17)15-13-4-3-9-21(19,20)11-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 317.46 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 63922912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).