N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine

C14H26N2O2S — CID 173135174

IUPACN-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine
SMILESCN(CCCS(=O)(=O)N1C[C@H]2C[C@H]2C1)C1CCCC1
InChIInChI=1S/C14H26N2O2S/c1-15(14-5-2-3-6-14)7-4-8-19(17,18)16-10-12-9-13(12)11-16/h12-14H,2-11H2,1H3/t12-,13+
InChIKeyNULZEVBFHPPBFO-BETUJISGSA-N
MW286.44 g/mol
LogP1.53
Rot. Bonds6

About N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine

N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine (PubChem CID 173135174) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine
PubChem CID173135174
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine
SMILESCN(CCCS(=O)(=O)N1C[C@H]2C[C@H]2C1)C1CCCC1
InChIInChI=1S/C14H26N2O2S/c1-15(14-5-2-3-6-14)7-4-8-19(17,18)16-10-12-9-13(12)11-16/h12-14H,2-11H2,1H3/t12-,13+
InChIKeyNULZEVBFHPPBFO-BETUJISGSA-N
XLogP1.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine?
The IUPAC name of N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine (CID 173135174) is N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine is CN(CCCS(=O)(=O)N1C[C@H]2C[C@H]2C1)C1CCCC1.
What is the InChIKey of N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine?
The InChIKey is NULZEVBFHPPBFO-BETUJISGSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-15(14-5-2-3-6-14)7-4-8-19(17,18)16-10-12-9-13(12)11-16/h12-14H,2-11H2,1H3/t12-,13+.
What are the key properties of N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine?
N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine has a molecular weight of 286.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]sulfonyl]propyl]-N-methylcyclopentanamine is sourced from PubChem (CID 173135174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).