1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine

C14H28N2S — CID 80724945

IUPAC1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(CC2(C)CCCS2)C1
InChIInChI=1S/C14H28N2S/c1-12(2)15-13-6-4-8-16(10-13)11-14(3)7-5-9-17-14/h12-13,15H,4-11H2,1-3H3
InChIKeyUHNODEMBQVTNLY-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.73
Rot. Bonds4

About 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine

1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine (PubChem CID 80724945) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine
PubChem CID80724945
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine
SMILESCC(C)NC1CCCN(CC2(C)CCCS2)C1
InChIInChI=1S/C14H28N2S/c1-12(2)15-13-6-4-8-16(10-13)11-14(3)7-5-9-17-14/h12-13,15H,4-11H2,1-3H3
InChIKeyUHNODEMBQVTNLY-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80730109
3-cyclopropyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80725158
N-propan-2-yl-1-prop-2-enylpiperidin-3-amine
CID 83696638
N-[(2-methylthiolan-2-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 80528637
1-[(2-methylcyclopentyl)methyl]-N-propan-2-ylpiperidin-3-amine
CID 107420791
(3S)-1-(2-methylpropyl)-N-propan-2-ylpyrrolidin-3-amine
CID 164836687
1-(6-methylsulfanylhexyl)-N-propan-2-ylpiperidin-3-amine
CID 114124875
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
3-bromo-1-[(2-methylthiolan-2-yl)methyl]piperidin-2-one
CID 80724485
(3S)-1-[6-(methylamino)hexyl]-N-propan-2-ylpyrrolidin-3-amine
CID 167253643
1-methyl-N-[(2-methylthiolan-2-yl)methyl]azetidin-3-amine
CID 130727910
N-(1-cyclohexylethyl)-1-ethylpiperidin-3-amine
CID 61170770

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine?
The IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine (CID 80724945) is 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine is CC(C)NC1CCCN(CC2(C)CCCS2)C1.
What is the InChIKey of 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine?
The InChIKey is UHNODEMBQVTNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12(2)15-13-6-4-8-16(10-13)11-14(3)7-5-9-17-14/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine?
1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylthiolan-2-yl)methyl]-N-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 80724945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).