2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine

C14H28N2S — CID 114628750

IUPAC2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
SMILESCC1(C)C(NCCSC2CCNCC2)C1(C)C
InChIInChI=1S/C14H28N2S/c1-13(2)12(14(13,3)4)16-9-10-17-11-5-7-15-8-6-11/h11-12,15-16H,5-10H2,1-4H3
InChIKeyZNHUSEDJAMBUCM-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.50
Rot. Bonds5

About 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine

2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine (PubChem CID 114628750) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
PubChem CID114628750
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
SMILESCC1(C)C(NCCSC2CCNCC2)C1(C)C
InChIInChI=1S/C14H28N2S/c1-13(2)12(14(13,3)4)16-9-10-17-11-5-7-15-8-6-11/h11-12,15-16H,5-10H2,1-4H3
InChIKeyZNHUSEDJAMBUCM-UHFFFAOYSA-N
XLogP2.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine with MolForge

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Related Compounds

1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628852
3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628845
1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628856
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
CID 114628486
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628849
(2S,6R)-2,6-dimethyl-1-(2-piperidin-4-ylsulfanylethyl)piperidine
CID 104967759
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739
N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
CID 114628548
2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
CID 114628792
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine
CID 114128261
4-(2-cyclopentylsulfanylethyl)piperidine
CID 105061347

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine?
The IUPAC name of 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine (CID 114628750) is 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine is CC1(C)C(NCCSC2CCNCC2)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine?
The InChIKey is ZNHUSEDJAMBUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(2)12(14(13,3)4)16-9-10-17-11-5-7-15-8-6-11/h11-12,15-16H,5-10H2,1-4H3.
What are the key properties of 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine?
2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine has a molecular weight of 256.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine is sourced from PubChem (CID 114628750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).