N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine

C11H22N2O2S — CID 79612688

IUPACN-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
SMILESCS(=O)(=O)N1CCCC(CCNC2CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-8-2-3-10(9-13)6-7-12-11-4-5-11/h10-12H,2-9H2,1H3
InChIKeyFMJFABSINDLVEP-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.80
Rot. Bonds5

About N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine

N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine (PubChem CID 79612688) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
PubChem CID79612688
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
SMILESCS(=O)(=O)N1CCCC(CCNC2CC2)C1
InChIInChI=1S/C11H22N2O2S/c1-16(14,15)13-8-2-3-10(9-13)6-7-12-11-4-5-11/h10-12H,2-9H2,1H3
InChIKeyFMJFABSINDLVEP-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]propan-2-amine
CID 79612453
3-(4-chlorobutyl)-1-methylsulfonylpiperidine
CID 79622058
N-methyl-6-(1-methylsulfonylpiperidin-3-yl)hexan-3-amine
CID 79622916
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
3-(4-bromohexyl)-1-methylsulfonylpiperidine
CID 79622835
3-(2,2-dimethylpropyl)-1-methylsulfonylpiperidine
CID 59148098
3-methyl-3-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylcyclopentan-1-amine
CID 116539806
4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79620255
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
3-(3-bromo-4,4-dimethylpentyl)-1-methylsulfonylpiperidine
CID 79622466
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine (CID 79612688) is N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine is CS(=O)(=O)N1CCCC(CCNC2CC2)C1.
What is the InChIKey of N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine?
The InChIKey is FMJFABSINDLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-16(14,15)13-8-2-3-10(9-13)6-7-12-11-4-5-11/h10-12H,2-9H2,1H3.
What are the key properties of N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine?
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine has a molecular weight of 246.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 79612688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).