N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine

C11H22N2O2S — CID 61210849

IUPACN-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine
SMILESCN1CCCC(NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-13-6-2-3-11(9-13)12-10-4-7-16(14,15)8-5-10/h10-12H,2-9H2,1H3
InChIKeyAVILQYSDVJDEKN-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.25
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine

N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine (PubChem CID 61210849) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine
PubChem CID61210849
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine
SMILESCN1CCCC(NC2CCS(=O)(=O)CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-13-6-2-3-11(9-13)12-10-4-7-16(14,15)8-5-10/h10-12H,2-9H2,1H3
InChIKeyAVILQYSDVJDEKN-UHFFFAOYSA-N
XLogP0.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
N-(1,1-dioxothian-4-yl)-1-ethylazepan-4-amine
CID 65074346
3-N-(1-methylpiperidin-3-yl)cyclopentane-1,3-diamine
CID 79462882
5-[(1,1-dioxothian-4-yl)amino]-1-methylpiperidin-2-one
CID 64656327
N-(3,4-dimethylcyclohexyl)-1-methylpiperidin-3-amine
CID 64745426
N-cyclopropyl-1-methylazepan-4-amine
CID 65071330
1-methyl-N-(2-methylcyclobutyl)piperidin-3-amine
CID 126973384
(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
4-[(1-methylpiperidin-3-yl)amino]azepan-2-one
CID 63887519
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine (CID 61210849) is N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine is CN1CCCC(NC2CCS(=O)(=O)CC2)C1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine?
The InChIKey is AVILQYSDVJDEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-13-6-2-3-11(9-13)12-10-4-7-16(14,15)8-5-10/h10-12H,2-9H2,1H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine?
N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine has a molecular weight of 246.38 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine is sourced from PubChem (CID 61210849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).