1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane

C11H25N3O2S2 — CID 114142567

IUPAC1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane
SMILESCSC1(CNS(=O)(=O)N(C)CCCN)CCCC1
InChIInChI=1S/C11H25N3O2S2/c1-14(9-5-8-12)18(15,16)13-10-11(17-2)6-3-4-7-11/h13H,3-10,12H2,1-2H3
InChIKeyHNIILYXKTDWQIF-UHFFFAOYSA-N
MW295.47 g/mol
LogP0.78
Rot. Bonds8

About 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane

1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane (PubChem CID 114142567) has the molecular formula C11H25N3O2S2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane.

Molecular Properties

Compound Name1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane
PubChem CID114142567
Molecular FormulaC11H25N3O2S2
Molecular Weight295.47 g/mol
Exact Mass295.14
IUPAC Name1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane
SMILESCSC1(CNS(=O)(=O)N(C)CCCN)CCCC1
InChIInChI=1S/C11H25N3O2S2/c1-14(9-5-8-12)18(15,16)13-10-11(17-2)6-3-4-7-11/h13H,3-10,12H2,1-2H3
InChIKeyHNIILYXKTDWQIF-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 114142631
2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopentane
CID 54952302
1-amino-N-[(1-methylsulfanylcyclohexyl)methyl]propane-2-sulfonamide
CID 106092399
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane
CID 114142578
2-(2-aminoethoxy)-N-[(1-methylsulfanylcyclobutyl)methyl]ethanesulfonamide
CID 112751639
N-[(1-methylsulfanylcyclobutyl)methyl]propane-1-sulfonamide
CID 107270941
4-hydroxy-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106001860
1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 55142284
2-(cyclopropylamino)-N-[(1-methylsulfanylcyclopentyl)methyl]ethanesulfonamide
CID 106090508
3-[[3-aminopropyl(methyl)sulfamoyl]amino]oxolane
CID 80716322
4-(cyclopropylamino)-N-[(1-methylsulfanylcyclohexyl)methyl]butane-1-sulfonamide
CID 106092425
N-[(1-methylsulfanylcyclopentyl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090506

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane?
The IUPAC name of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane (CID 114142567) is 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane.
What is the SMILES notation for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane?
The canonical SMILES for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane is CSC1(CNS(=O)(=O)N(C)CCCN)CCCC1.
What is the InChIKey of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane?
The InChIKey is HNIILYXKTDWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S2/c1-14(9-5-8-12)18(15,16)13-10-11(17-2)6-3-4-7-11/h13H,3-10,12H2,1-2H3.
What are the key properties of 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane?
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane has a molecular weight of 295.47 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane is sourced from PubChem (CID 114142567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).