N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine

C12H24N2S — CID 79950135

IUPACN-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C1CSC(C)C1
InChIInChI=1S/C12H24N2S/c1-10-7-12(9-15-10)14-6-4-3-5-11(14)8-13-2/h10-13H,3-9H2,1-2H3
InChIKeyVSNAKCNVXLBWEO-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.95
Rot. Bonds3

About N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine

N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine (PubChem CID 79950135) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine
PubChem CID79950135
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine
SMILESCNCC1CCCCN1C1CSC(C)C1
InChIInChI=1S/C12H24N2S/c1-10-7-12(9-15-10)14-6-4-3-5-11(14)8-13-2/h10-13H,3-9H2,1-2H3
InChIKeyVSNAKCNVXLBWEO-UHFFFAOYSA-N
XLogP1.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
CID 64625242
1-[1-(2,6-dimethylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
CID 55167772
N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine
CID 63249288
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)piperidin-2-yl]-N-methylmethanamine
CID 55169879
N-methyl-1-(1-spiro[4.5]decan-8-ylpyrrolidin-2-yl)methanamine
CID 114818954
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]propan-2-amine
CID 64731145
N-[[1-(3,5-dimethylcyclohexyl)piperidin-2-yl]methyl]ethanamine
CID 64730948
2-[1-(1,5-dimethylpyrrolidin-3-yl)piperidin-2-yl]-N-methylethanamine
CID 81467618
2-[2-(methylaminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 63249850
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
N-methyl-1-(1-piperidin-3-ylpyrrolidin-2-yl)methanamine;hydrochloride
CID 131086453
1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316266

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine (CID 79950135) is N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine is CNCC1CCCCN1C1CSC(C)C1.
What is the InChIKey of N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine?
The InChIKey is VSNAKCNVXLBWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10-7-12(9-15-10)14-6-4-3-5-11(14)8-13-2/h10-13H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine?
N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine has a molecular weight of 228.40 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-methylthiolan-3-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 79950135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).