N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine

C12H24N2S — CID 106623912

IUPACN-methyl-N-(piperidin-3-ylmethyl)thian-4-amine
SMILESCN(CC1CCCNC1)C1CCSCC1
InChIInChI=1S/C12H24N2S/c1-14(12-4-7-15-8-5-12)10-11-3-2-6-13-9-11/h11-13H,2-10H2,1H3
InChIKeyJFCPJRKVCJMPBM-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine

N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine (PubChem CID 106623912) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)thian-4-amine
PubChem CID106623912
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)thian-4-amine
SMILESCN(CC1CCCNC1)C1CCSCC1
InChIInChI=1S/C12H24N2S/c1-14(12-4-7-15-8-5-12)10-11-3-2-6-13-9-11/h11-13H,2-10H2,1H3
InChIKeyJFCPJRKVCJMPBM-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)oxan-4-amine
CID 43611345
N,3-dimethyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 61447317
N-[4-[methyl(piperidin-3-ylmethyl)amino]cyclohexyl]acetamide
CID 120849562
N-(cyclobutylmethyl)-N-methylazepan-3-amine
CID 62855304
2-ethyl-N,2-dimethyl-N-(piperidin-3-ylmethyl)oxan-4-amine
CID 106623661
N-methyl-N-(thiolan-3-ylmethyl)piperidin-4-amine
CID 120835407
2-ethyl-N-methyl-N-(piperidin-3-ylmethyl)oxan-4-amine
CID 106623629
1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)methanamine;hydrochloride
CID 119930005
N-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106623860
1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine
CID 62370363
(3R)-N-methyl-N-(oxan-4-ylmethyl)piperidin-3-amine
CID 86323316
1-benzyl-N-methyl-N-(piperidin-3-ylmethyl)pyrrolidin-3-amine
CID 104870055

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine (CID 106623912) is N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine is CN(CC1CCCNC1)C1CCSCC1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine?
The InChIKey is JFCPJRKVCJMPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-14(12-4-7-15-8-5-12)10-11-3-2-6-13-9-11/h11-13H,2-10H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine?
N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)thian-4-amine is sourced from PubChem (CID 106623912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).