N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine

C14H22N2O3S2 — CID 102971743

IUPACN-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
SMILESCOC1CCCN(S(=O)(=O)c2csc(CNC3CC3)c2)C1
InChIInChI=1S/C14H22N2O3S2/c1-19-12-3-2-6-16(9-12)21(17,18)14-7-13(20-10-14)8-15-11-4-5-11/h7,10-12,15H,2-6,8-9H2,1H3
InChIKeyVUVUMNAOKHSSBZ-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.80
Rot. Bonds6

About N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine

N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine (PubChem CID 102971743) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
PubChem CID102971743
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
SMILESCOC1CCCN(S(=O)(=O)c2csc(CNC3CC3)c2)C1
InChIInChI=1S/C14H22N2O3S2/c1-19-12-3-2-6-16(9-12)21(17,18)14-7-13(20-10-14)8-15-11-4-5-11/h7,10-12,15H,2-6,8-9H2,1H3
InChIKeyVUVUMNAOKHSSBZ-UHFFFAOYSA-N
XLogP1.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-2-yl]-N-methylmethanamine
CID 103541547
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
N-(cyclopentylmethyl)-5-[(cyclopropylamino)methyl]thiophene-3-sulfonamide
CID 106026780
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
5-[(cyclopropylamino)methyl]-N',N'-dimethylthiophene-3-sulfonohydrazide
CID 106074767
5-(3-methoxypiperidin-1-yl)sulfonyl-N-methylpyrimidin-2-amine
CID 102964589
1-[[5-(chloromethyl)-1H-pyrrol-3-yl]sulfonyl]-3-methoxypiperidine
CID 102969072
N-[[3-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102971861
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106050737
[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
CID 102970827

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine (CID 102971743) is N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine is COC1CCCN(S(=O)(=O)c2csc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is VUVUMNAOKHSSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-19-12-3-2-6-16(9-12)21(17,18)14-7-13(20-10-14)8-15-11-4-5-11/h7,10-12,15H,2-6,8-9H2,1H3.
What are the key properties of N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine?
N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 330.48 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102971743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).