N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine

C12H27N3O2S — CID 54947772

IUPACN'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCC(C)N(C)S(=O)(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)14(3)18(16,17)15(10-6-9-13)12-7-4-5-8-12/h11-12H,4-10,13H2,1-3H3
InChIKeyOMYFXVICUMHWAY-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.16
Rot. Bonds7

About N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine

N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine (PubChem CID 54947772) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine
PubChem CID54947772
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine
SMILESCC(C)N(C)S(=O)(=O)N(CCCN)C1CCCC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)14(3)18(16,17)15(10-6-9-13)12-7-4-5-8-12/h11-12H,4-10,13H2,1-3H3
InChIKeyOMYFXVICUMHWAY-UHFFFAOYSA-N
XLogP1.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine?
The IUPAC name of N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine (CID 54947772) is N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine.
What is the SMILES notation for N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine?
The canonical SMILES for N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine is CC(C)N(C)S(=O)(=O)N(CCCN)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine?
The InChIKey is OMYFXVICUMHWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)14(3)18(16,17)15(10-6-9-13)12-7-4-5-8-12/h11-12H,4-10,13H2,1-3H3.
What are the key properties of N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine?
N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine has a molecular weight of 277.43 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-[methyl(propan-2-yl)sulfamoyl]propane-1,3-diamine is sourced from PubChem (CID 54947772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).