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

C13H26N2O3S — CID 102971420

IUPACN-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
SMILESCOC1CN(S(=O)(=O)CCCNC2CC2)CCC1C
InChIInChI=1S/C13H26N2O3S/c1-11-6-8-15(10-13(11)18-2)19(16,17)9-3-7-14-12-4-5-12/h11-14H,3-10H2,1-2H3
InChIKeyBOEVLQDMAJJIRI-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.82
Rot. Bonds7

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

N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine (PubChem CID 102971420) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
PubChem CID102971420
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
SMILESCOC1CN(S(=O)(=O)CCCNC2CC2)CCC1C
InChIInChI=1S/C13H26N2O3S/c1-11-6-8-15(10-13(11)18-2)19(16,17)9-3-7-14-12-4-5-12/h11-14H,3-10H2,1-2H3
InChIKeyBOEVLQDMAJJIRI-UHFFFAOYSA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine
CID 102971594
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
N-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)propyl]cyclopropanamine
CID 79936656
[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 102971478
N-(3-piperidin-1-ylsulfonylpropyl)cyclopentanamine
CID 91216623
N-pentyl-1-propylsulfonylpiperidin-4-amine
CID 43747927
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
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
N-[3-(2-methoxyethylsulfonyl)propyl]cyclopropanamine
CID 64647289

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine (CID 102971420) is N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine is COC1CN(S(=O)(=O)CCCNC2CC2)CCC1C.
What is the InChIKey of N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine?
The InChIKey is BOEVLQDMAJJIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11-6-8-15(10-13(11)18-2)19(16,17)9-3-7-14-12-4-5-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine?
N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine has a molecular weight of 290.43 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine is sourced from PubChem (CID 102971420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).