2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide

C14H28N2OS — CID 114083921

IUPAC2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
SMILESCC(C)(C)SCC(=O)NCC1NCCCC1(C)C
InChIInChI=1S/C14H28N2OS/c1-13(2,3)18-10-12(17)16-9-11-14(4,5)7-6-8-15-11/h11,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyFVGUEOWYGSFBFD-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.41
Rot. Bonds4

About 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide

2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide (PubChem CID 114083921) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
PubChem CID114083921
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
SMILESCC(C)(C)SCC(=O)NCC1NCCCC1(C)C
InChIInChI=1S/C14H28N2OS/c1-13(2,3)18-10-12(17)16-9-11-14(4,5)7-6-8-15-11/h11,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyFVGUEOWYGSFBFD-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
CID 114083886
N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
tert-butyl N-[(3,3-dimethylpiperidin-2-yl)methyl]carbamate
CID 130690433
2-tert-butylsulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540759
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
CID 114083895
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide;hydrochloride
CID 120670962
2-(3,3-dimethylpiperidin-2-yl)acetic acid
CID 10631009
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120670877
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120670834

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide?
The IUPAC name of 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide (CID 114083921) is 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide is CC(C)(C)SCC(=O)NCC1NCCCC1(C)C.
What is the InChIKey of 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide?
The InChIKey is FVGUEOWYGSFBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-13(2,3)18-10-12(17)16-9-11-14(4,5)7-6-8-15-11/h11,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide?
2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide has a molecular weight of 272.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide is sourced from PubChem (CID 114083921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).