N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide

C13H27N3OS — CID 115721856

IUPACN,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide
SMILESCSCC(C)NC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3OS/c1-11(10-18-4)14-12-5-7-16(8-6-12)9-13(17)15(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyCCOHNZIETWRDHR-UHFFFAOYSA-N
MW273.45 g/mol
LogP0.88
Rot. Bonds6

About N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide

N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide (PubChem CID 115721856) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide
PubChem CID115721856
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC NameN,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide
SMILESCSCC(C)NC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3OS/c1-11(10-18-4)14-12-5-7-16(8-6-12)9-13(17)15(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyCCOHNZIETWRDHR-UHFFFAOYSA-N
XLogP0.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[[(2R)-1-methylsulfanylpropan-2-yl]amino]piperidin-1-yl]acetate
CID 95201002
2-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103786544
2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 113303615
2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
N,N-dimethyl-2-[4-(1-pyridin-3-ylethylamino)piperidin-1-yl]acetamide
CID 43768106
N,N-dimethyl-2-[4-[[(1R)-1-pyridin-2-ylethyl]amino]piperidin-1-yl]acetamide
CID 81393445
N,N-dimethyl-2-[4-[1-(1H-pyrazol-4-yl)ethylamino]piperidin-1-yl]acetamide
CID 103905211
N,N-dimethyl-2-[4-[[(1R)-1-pyridin-3-ylethyl]amino]piperidin-1-yl]acetamide
CID 81393597
2-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 103905502
N,N-dimethyl-2-[4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]piperidin-1-yl]acetamide
CID 104773415

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide (CID 115721856) is N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide is CSCC(C)NC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide?
The InChIKey is CCOHNZIETWRDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-11(10-18-4)14-12-5-7-16(8-6-12)9-13(17)15(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide?
N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide has a molecular weight of 273.45 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(1-methylsulfanylpropan-2-ylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 115721856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).