N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine

C12H24N2O2S — CID 55101098

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H24N2O2S/c1-14-5-2-11(3-6-14)8-13-9-12-4-7-17(15,16)10-12/h11-13H,2-10H2,1H3
InChIKeyALGHVBJBAWRMLP-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.35
Rot. Bonds4

About N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine

N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 55101098) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID55101098
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C12H24N2O2S/c1-14-5-2-11(3-6-14)8-13-9-12-4-7-17(15,16)10-12/h11-13H,2-10H2,1H3
InChIKeyALGHVBJBAWRMLP-UHFFFAOYSA-N
XLogP0.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-(1,1-dioxothiolan-3-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63250693
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61058397
N-[(1,1-dioxothiolan-3-yl)methyl]pentan-1-amine
CID 61058510
3-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclobutan-1-amine
CID 115214151
1-[(1,1-dioxothiolan-3-yl)methylamino]-3-methoxypropan-2-ol
CID 63928167
ethyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 3091624
1-(1,1-dioxothiolan-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78920808
N-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine
CID 47271761
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(1,1-dioxothiolan-3-yl)methanamine
CID 79554926
(2S)-3-[(1,1-dioxothiolan-3-yl)methylamino]propane-1,2-diol
CID 61150575

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine (CID 55101098) is N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CNCC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is ALGHVBJBAWRMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-14-5-2-11(3-6-14)8-13-9-12-4-7-17(15,16)10-12/h11-13H,2-10H2,1H3.
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 260.40 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 55101098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).