2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide

C13H27N3O2S — CID 106076855

IUPAC2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)CCNC2CC2)CCCC1
InChIInChI=1S/C13H27N3O2S/c1-16(2)13(7-3-4-8-13)11-15-19(17,18)10-9-14-12-5-6-12/h12,14-15H,3-11H2,1-2H3
InChIKeyWALDMDIVEJANPO-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.53
Rot. Bonds8

About 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide

2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide (PubChem CID 106076855) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide
PubChem CID106076855
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide
SMILESCN(C)C1(CNS(=O)(=O)CCNC2CC2)CCCC1
InChIInChI=1S/C13H27N3O2S/c1-16(2)13(7-3-4-8-13)11-15-19(17,18)10-9-14-12-5-6-12/h12,14-15H,3-11H2,1-2H3
InChIKeyWALDMDIVEJANPO-UHFFFAOYSA-N
XLogP0.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
CID 106090508
N-[[1-(dimethylamino)cyclopentyl]methyl]butane-1-sulfonamide
CID 131900223
N-[[1-(dimethylamino)cyclohexyl]methyl]butane-1-sulfonamide
CID 131944790
1-cyclopentyl-N-[[1-(dimethylamino)cyclohexyl]methyl]methanesulfonamide
CID 131891984
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide
CID 83120440
2-chloro-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]ethanesulfonamide
CID 107651664
1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
CID 34249483
4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
CID 106073825
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 105419192
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide (CID 106076855) is 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide is CN(C)C1(CNS(=O)(=O)CCNC2CC2)CCCC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide?
The InChIKey is WALDMDIVEJANPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-16(2)13(7-3-4-8-13)11-15-19(17,18)10-9-14-12-5-6-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide?
2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide is sourced from PubChem (CID 106076855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).