1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine

C11H22N2S — CID 114628852

IUPAC1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
SMILESCC1(NCCSC2CCNCC2)CC1
InChIInChI=1S/C11H22N2S/c1-11(4-5-11)13-8-9-14-10-2-6-12-7-3-10/h10,12-13H,2-9H2,1H3
InChIKeyYPDMASQCLDEAJF-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.61
Rot. Bonds5

About 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine

1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine (PubChem CID 114628852) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
PubChem CID114628852
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
SMILESCC1(NCCSC2CCNCC2)CC1
InChIInChI=1S/C11H22N2S/c1-11(4-5-11)13-8-9-14-10-2-6-12-7-3-10/h10,12-13H,2-9H2,1H3
InChIKeyYPDMASQCLDEAJF-UHFFFAOYSA-N
XLogP1.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628856
2,2,3,3-tetramethyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine
CID 114628750
3-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclobutan-1-amine
CID 114628845
2,4,4-trimethyl-N-(2-piperidin-4-ylsulfanylethyl)pentan-2-amine
CID 114628486
2,2-dimethyl-N-(2-piperidin-4-ylsulfanylethyl)heptan-1-amine
CID 114628792
N-(2-piperidin-4-ylsulfanylethyl)hexan-2-amine
CID 114628548
2-cyclobutyl-N-(2-piperidin-4-ylsulfanylethyl)ethanamine
CID 114628849
4-(2-fluoroethylsulfanyl)piperidine
CID 84651739
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-piperidin-4-ylsulfanylethanamine
CID 114128261
N-(1-methylcyclopropyl)piperidin-4-amine
CID 149483067
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
N-[2-(azetidin-3-yl)ethyl]-1-methylcyclopropan-1-amine
CID 116680425

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine?
The IUPAC name of 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine (CID 114628852) is 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine?
The canonical SMILES for 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine is CC1(NCCSC2CCNCC2)CC1.
What is the InChIKey of 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine?
The InChIKey is YPDMASQCLDEAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-11(4-5-11)13-8-9-14-10-2-6-12-7-3-10/h10,12-13H,2-9H2,1H3.
What are the key properties of 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine?
1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine has a molecular weight of 214.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-piperidin-4-ylsulfanylethyl)cyclopropan-1-amine is sourced from PubChem (CID 114628852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).