N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine

C13H26N2O3S — CID 107395631

IUPACN-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCOC1(C)CCCN(CCNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C13H26N2O3S/c1-13(18-2)5-3-7-15(11-13)8-6-14-12-4-9-19(16,17)10-12/h12,14H,3-11H2,1-2H3
InChIKeyUMRJJMGYGAZZCS-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.26
Rot. Bonds5

About N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine

N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 107395631) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID107395631
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESCOC1(C)CCCN(CCNC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C13H26N2O3S/c1-13(18-2)5-3-7-15(11-13)8-6-14-12-4-9-19(16,17)10-12/h12,14H,3-11H2,1-2H3
InChIKeyUMRJJMGYGAZZCS-UHFFFAOYSA-N
XLogP0.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxypiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 102968388
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107393244
N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 63822404
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 55089467
1,1-dioxo-N-(2-thiomorpholin-4-ylethyl)thiolan-3-amine
CID 62574345
N-[2-(2-ethylmorpholin-4-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 62560596
2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 107392083
N-ethyl-2-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]cyclopentan-1-amine
CID 107391928
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,1-dioxothiolan-3-amine
CID 79925293
4-(3-methoxy-3-methylpiperidin-1-yl)butan-2-one
CID 107393646
2-(cyclopropylamino)-4-(3-methoxy-3-methylpiperidin-1-yl)butanamide
CID 107394779

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 107395631) is N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine is COC1(C)CCCN(CCNC2CCS(=O)(=O)C2)C1.
What is the InChIKey of N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is UMRJJMGYGAZZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-13(18-2)5-3-7-15(11-13)8-6-14-12-4-9-19(16,17)10-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 290.43 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-3-methylpiperidin-1-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 107395631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).