1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane

C11H25N3O2S2 — CID 114142578

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane
SMILESCSC1CCC(NS(=O)(=O)N(C)CCCN)CC1
InChIInChI=1S/C11H25N3O2S2/c1-14(9-3-8-12)18(15,16)13-10-4-6-11(17-2)7-5-10/h10-11,13H,3-9,12H2,1-2H3
InChIKeyZPDNQORCUHWCLH-UHFFFAOYSA-N
MW295.47 g/mol
LogP0.78
Rot. Bonds7

About 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane

1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane (PubChem CID 114142578) has the molecular formula C11H25N3O2S2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane
PubChem CID114142578
Molecular FormulaC11H25N3O2S2
Molecular Weight295.47 g/mol
Exact Mass295.14
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane
SMILESCSC1CCC(NS(=O)(=O)N(C)CCCN)CC1
InChIInChI=1S/C11H25N3O2S2/c1-14(9-3-8-12)18(15,16)13-10-4-6-11(17-2)7-5-10/h10-11,13H,3-9,12H2,1-2H3
InChIKeyZPDNQORCUHWCLH-UHFFFAOYSA-N
XLogP0.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

3-[[3-aminopropyl(methyl)sulfamoyl]amino]oxolane
CID 80716322
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
3-[methyl-[(3-methylsulfanylcyclopentyl)sulfamoyl]amino]propanoic acid
CID 114122704
N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
CID 114238612
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methyloxolane
CID 82726272
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
[[(3-amino-4-methylpentyl)-methylsulfamoyl]amino]cyclopropane
CID 114811297
1-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylsulfanylcyclopentane
CID 114142567
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
2-[[3-aminopropyl(methyl)sulfamoyl]amino]ethylcyclopentane
CID 54952302
[3-aminopropyl(cyclopropylsulfamoyl)amino]benzene
CID 114803326

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane (CID 114142578) is 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane is CSC1CCC(NS(=O)(=O)N(C)CCCN)CC1.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane?
The InChIKey is ZPDNQORCUHWCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S2/c1-14(9-3-8-12)18(15,16)13-10-4-6-11(17-2)7-5-10/h10-11,13H,3-9,12H2,1-2H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane?
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane has a molecular weight of 295.47 g/mol, XLogP of 0.78, 7 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]-4-methylsulfanylcyclohexane is sourced from PubChem (CID 114142578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).