N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

C15H29N3O3S — CID 120916417

IUPACN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC1CCCC1C1COCCN1
InChIInChI=1S/C15H29N3O3S/c1-22(19,20)18-8-3-4-12(18)10-17-14-6-2-5-13(14)15-11-21-9-7-16-15/h12-17H,2-11H2,1H3/t12-,13?,14?,15?/m1/s1
InChIKeyCJOPMMGIYDDEBV-AUXXQLBISA-N
MW331.48 g/mol
LogP0.16
Rot. Bonds5

About N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine

N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (PubChem CID 120916417) has the molecular formula C15H29N3O3S and a molecular weight of 331.48 g/mol. Its IUPAC name is N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
PubChem CID120916417
Molecular FormulaC15H29N3O3S
Molecular Weight331.48 g/mol
Exact Mass331.19
IUPAC NameN-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
SMILESCS(=O)(=O)N1CCC[C@@H]1CNC1CCCC1C1COCCN1
InChIInChI=1S/C15H29N3O3S/c1-22(19,20)18-8-3-4-12(18)10-17-14-6-2-5-13(14)15-11-21-9-7-16-15/h12-17H,2-11H2,1H3/t12-,13?,14?,15?/m1/s1
InChIKeyCJOPMMGIYDDEBV-AUXXQLBISA-N
XLogP0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-3-methyl-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 99802194
N-(cyclohexylmethyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120914381
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
2-morpholin-3-yl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 120914013
N-(2-tert-butylsulfonylethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916306
N-(3,3-dimethylbutyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120913877
2-morpholin-3-yl-N-(thiolan-2-ylmethyl)cyclopentan-1-amine;hydrochloride
CID 120915524
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915656
N-tert-butyl-2-[(2-morpholin-3-ylcyclopentyl)amino]acetamide;hydrochloride
CID 120915044
1,1,1-trifluoro-3-[(2-morpholin-3-ylcyclopentyl)amino]propan-2-ol;hydrochloride
CID 120916188
N-[(2-tert-butyloxan-3-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914546
N-(2-methylsulfanylpropyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120916191

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The IUPAC name of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine (CID 120916417) is N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine.
What is the SMILES notation for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The canonical SMILES for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is CS(=O)(=O)N1CCC[C@@H]1CNC1CCCC1C1COCCN1.
What is the InChIKey of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
The InChIKey is CJOPMMGIYDDEBV-AUXXQLBISA-N. The full InChI is InChI=1S/C15H29N3O3S/c1-22(19,20)18-8-3-4-12(18)10-17-14-6-2-5-13(14)15-11-21-9-7-16-15/h12-17H,2-11H2,1H3/t12-,13?,14?,15?/m1/s1.
What are the key properties of N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine?
N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine has a molecular weight of 331.48 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine is sourced from PubChem (CID 120916417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).