5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide

C14H28N2S — CID 65259698

IUPAC5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide
SMILESCC1(C)CCCN(CCCC(C)(C)C(N)=S)C1
InChIInChI=1S/C14H28N2S/c1-13(2)7-5-9-16(11-13)10-6-8-14(3,4)12(15)17/h5-11H2,1-4H3,(H2,15,17)
InChIKeyDQRCQFSFPLMJBH-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.20
Rot. Bonds5

About 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide

5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide (PubChem CID 65259698) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide.

Molecular Properties

Compound Name5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide
PubChem CID65259698
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide
SMILESCC1(C)CCCN(CCCC(C)(C)C(N)=S)C1
InChIInChI=1S/C14H28N2S/c1-13(2)7-5-9-16(11-13)10-6-8-14(3,4)12(15)17/h5-11H2,1-4H3,(H2,15,17)
InChIKeyDQRCQFSFPLMJBH-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanethioamide
CID 81098207
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
CID 176680296
5-(4-ethylazepan-1-yl)-2,2-dimethylpentanethioamide
CID 65259797
2,2-dimethyl-4-(3,3,4-trimethylpiperazin-1-yl)butanethioamide
CID 65249097
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
2,2-dimethyl-4-(2,2,6,6-tetramethylmorpholin-4-yl)butanethioamide
CID 102743969
N'-[2-(3,3-dimethylpiperidin-1-yl)ethyl]azetidine-1-carboximidamide
CID 122095647
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77064513
1-amino-5-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 107396020
5-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2,2-dimethylpentanethioamide
CID 65259999
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide?
The IUPAC name of 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide (CID 65259698) is 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide.
What is the SMILES notation for 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide?
The canonical SMILES for 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide is CC1(C)CCCN(CCCC(C)(C)C(N)=S)C1.
What is the InChIKey of 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide?
The InChIKey is DQRCQFSFPLMJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(2)7-5-9-16(11-13)10-6-8-14(3,4)12(15)17/h5-11H2,1-4H3,(H2,15,17).
What are the key properties of 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide?
5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide has a molecular weight of 256.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylpiperidin-1-yl)-2,2-dimethylpentanethioamide is sourced from PubChem (CID 65259698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).