2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide

C12H24N2O2S2 — CID 106090508

IUPAC2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
SMILESCSC1(CNS(=O)(=O)CCNC2CC2)CCCC1
InChIInChI=1S/C12H24N2O2S2/c1-17-12(6-2-3-7-12)10-14-18(15,16)9-8-13-11-4-5-11/h11,13-14H,2-10H2,1H3
InChIKeyAUAGQKLINKBCET-UHFFFAOYSA-N
MW292.47 g/mol
LogP1.33
Rot. Bonds8

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

2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide (PubChem CID 106090508) has the molecular formula C12H24N2O2S2 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
PubChem CID106090508
Molecular FormulaC12H24N2O2S2
Molecular Weight292.47 g/mol
Exact Mass292.13
IUPAC Name2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
SMILESCSC1(CNS(=O)(=O)CCNC2CC2)CCCC1
InChIInChI=1S/C12H24N2O2S2/c1-17-12(6-2-3-7-12)10-14-18(15,16)9-8-13-11-4-5-11/h11,13-14H,2-10H2,1H3
InChIKeyAUAGQKLINKBCET-UHFFFAOYSA-N
XLogP1.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
3-(cyclopropylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 106090688
N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 107270941
2-(cyclopropylamino)-N-[[1-(dimethylamino)cyclopentyl]methyl]ethanesulfonamide
CID 106076855
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506
4-hydroxy-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106001860
3-[(1-methylsulfanylcyclohexyl)methylsulfamoyl]propanoic acid
CID 114115836
3-(ethylamino)-N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 114142573
4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
N-[(1-methylsulfanylcyclohexyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106092414
N-[(1-methylsulfanylcyclobutyl)methyl]-4-(propylamino)butane-1-sulfonamide
CID 106090686
4-(cyclopropylamino)-N-[(2-methylthiolan-2-yl)methyl]butane-1-sulfonamide
CID 106073825

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide (CID 106090508) is 2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide is CSC1(CNS(=O)(=O)CCNC2CC2)CCCC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide?
The InChIKey is AUAGQKLINKBCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S2/c1-17-12(6-2-3-7-12)10-14-18(15,16)9-8-13-11-4-5-11/h11,13-14H,2-10H2,1H3.
What are the key properties of 2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide?
2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide has a molecular weight of 292.47 g/mol, XLogP of 1.33, 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-methylsulfanylcyclopentyl)methyl]ethanesulfonamide is sourced from PubChem (CID 106090508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).