N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine

C12H24N2O3S — CID 102971594

IUPACN-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine
SMILESCOC1CN(S(=O)(=O)CCNC2CC2)CCC1C
InChIInChI=1S/C12H24N2O3S/c1-10-5-7-14(9-12(10)17-2)18(15,16)8-6-13-11-3-4-11/h10-13H,3-9H2,1-2H3
InChIKeyHVFODSKOQKEVOI-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds6

About N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine

N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine (PubChem CID 102971594) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine
PubChem CID102971594
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine
SMILESCOC1CN(S(=O)(=O)CCNC2CC2)CCC1C
InChIInChI=1S/C12H24N2O3S/c1-10-5-7-14(9-12(10)17-2)18(15,16)8-6-13-11-3-4-11/h10-13H,3-9H2,1-2H3
InChIKeyHVFODSKOQKEVOI-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
CID 102971420
N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide
CID 102971424
N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
CID 102968310
[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 102971478
N-[2-(cyclopropylamino)ethyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 62665167
2-(cyclopentylamino)-1-(3-methoxy-4-methylpiperidin-1-yl)ethanone
CID 102957365
N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine
CID 103532423
3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
CID 102971673
1-(2-methylsulfonylethylsulfonyl)-N-propylpiperidin-4-amine
CID 55173688
N-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylaniline
CID 102964517
2-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-3,6-dimethylaniline
CID 103171907
1-[4-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]-N-methylmethanamine
CID 102971629

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine (CID 102971594) is N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine is COC1CN(S(=O)(=O)CCNC2CC2)CCC1C.
What is the InChIKey of N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine?
The InChIKey is HVFODSKOQKEVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10-5-7-14(9-12(10)17-2)18(15,16)8-6-13-11-3-4-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine?
N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine is sourced from PubChem (CID 102971594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).