2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane

C8H21N3O2S — CID 95933690

IUPAC2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane
SMILESCC(C)N(CCNS(N)(=O)=O)C(C)C
InChIInChI=1S/C8H21N3O2S/c1-7(2)11(8(3)4)6-5-10-14(9,12)13/h7-8,10H,5-6H2,1-4H3,(H2,9,12,13)
InChIKeyPUVNFGOCWMYZRK-UHFFFAOYSA-N
MW223.34 g/mol
LogP-0.10
Rot. Bonds6

About 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane

2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane (PubChem CID 95933690) has the molecular formula C8H21N3O2S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane
PubChem CID95933690
Molecular FormulaC8H21N3O2S
Molecular Weight223.34 g/mol
Exact Mass223.14
IUPAC Name2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane
SMILESCC(C)N(CCNS(N)(=O)=O)C(C)C
InChIInChI=1S/C8H21N3O2S/c1-7(2)11(8(3)4)6-5-10-14(9,12)13/h7-8,10H,5-6H2,1-4H3,(H2,9,12,13)
InChIKeyPUVNFGOCWMYZRK-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-(dimethylamino)ethyl)-N,N-dimethylsulfamide
CID 425313
N-[2-[2-fluoroethyl(propan-2-yl)amino]ethyl]methanesulfonamide
CID 121481036
Dimethyl{[(methylpropyl)amino]sulfonyl}amine
CID 4285151
N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 107493816
N'-[methyl(propan-2-yl)sulfamoyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107493903
1-(Dimethylsulfamoylamino)-4-[di(propan-2-yl)amino]but-2-yne
CID 71792530
N,N-di(propan-2-yl)piperazine-1-sulfonamide
CID 16770069
2-[[Methyl(propan-2-yl)sulfamoyl]amino]propane
CID 22591038
N-[2-[di(propan-2-yl)amino]ethyl]methanesulfonamide
CID 23573801
2-[Di(propan-2-yl)sulfamoylamino]propane
CID 23598036
Diethyl n-isopropylsulfamide
CID 53256756
1-[Propyl-[2-(sulfinatoamino)ethyl]amino]propane
CID 56999194

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane?
The IUPAC name of 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane (CID 95933690) is 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane.
What is the SMILES notation for 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane?
The canonical SMILES for 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane is CC(C)N(CCNS(N)(=O)=O)C(C)C.
What is the InChIKey of 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane?
The InChIKey is PUVNFGOCWMYZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2S/c1-7(2)11(8(3)4)6-5-10-14(9,12)13/h7-8,10H,5-6H2,1-4H3,(H2,9,12,13).
What are the key properties of 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane?
2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane has a molecular weight of 223.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(sulfamoylamino)ethyl]amino]propane is sourced from PubChem (CID 95933690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).