[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane

C11H25N3O2S — CID 114803918

IUPAC[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)NC1CC1
InChIInChI=1S/C11H25N3O2S/c1-4-11(5-2,9-12)14(6-3)17(15,16)13-10-7-8-10/h10,13H,4-9,12H2,1-3H3
InChIKeyLCPLFAXXUFQZEW-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds8

About [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane

[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane (PubChem CID 114803918) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane.

Molecular Properties

Compound Name[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane
PubChem CID114803918
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane
SMILESCCN(C(CC)(CC)CN)S(=O)(=O)NC1CC1
InChIInChI=1S/C11H25N3O2S/c1-4-11(5-2,9-12)14(6-3)17(15,16)13-10-7-8-10/h10,13H,4-9,12H2,1-3H3
InChIKeyLCPLFAXXUFQZEW-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pentane
CID 91659860
(2S)-1-N-[cyclopropyl(methyl)sulfamoyl]-1-N,3,3-trimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821546
(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-3,3-dimethyl-2-N-propan-2-ylbutane-1,2-diamine
CID 58821568
[[(2S)-3,3-dimethyl-2-(propan-2-ylamino)butyl]sulfamoyl-methylamino]cyclopropane
CID 58826078
(2S)-1-N-cyclopropyl-1-N-(dimethylsulfamoyl)-2-N,3,3-trimethylbutane-1,2-diamine
CID 68320782
N-(1-cyclopropylethyl)-N-methylpiperazine-1-sulfonamide
CID 43569298
[1-[Bis(3-methylbutyl)sulfamoylamino]propan-2-yl-methylamino]cyclopropane
CID 56470755
3-(Aminomethyl)-3-(dimethylsulfamoylamino)pentane
CID 61123565
3-(Aminomethyl)-3-(diethylsulfamoylamino)pentane
CID 61124579
N'-cyclopropyl-N'-(diethylsulfamoyl)ethane-1,2-diamine
CID 61350882
N-(2-aminoethyl)-N-cyclopropyl-4-methylpiperidine-1-sulfonamide
CID 61350884
N'-cyclopropyl-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 61455493

Frequently Asked Questions

What is the IUPAC name of [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane?
The IUPAC name of [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane (CID 114803918) is [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane.
What is the SMILES notation for [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane?
The canonical SMILES for [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane is CCN(C(CC)(CC)CN)S(=O)(=O)NC1CC1.
What is the InChIKey of [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane?
The InChIKey is LCPLFAXXUFQZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-4-11(5-2,9-12)14(6-3)17(15,16)13-10-7-8-10/h10,13H,4-9,12H2,1-3H3.
What are the key properties of [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane?
[[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane has a molecular weight of 263.41 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(aminomethyl)pentan-3-yl-ethylsulfamoyl]amino]cyclopropane is sourced from PubChem (CID 114803918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).