2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane

C14H31N3O2S — CID 106063912

IUPAC2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
SMILESCCC(CC1CC1)NS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C14H31N3O2S/c1-5-14(11-13-7-8-13)16-20(18,19)17(4)10-6-9-15-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyRPLXWUQNDMMYSI-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.72
Rot. Bonds11

About 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane

2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane (PubChem CID 106063912) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane.

Molecular Properties

Compound Name2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
PubChem CID106063912
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane
SMILESCCC(CC1CC1)NS(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C14H31N3O2S/c1-5-14(11-13-7-8-13)16-20(18,19)17(4)10-6-9-15-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyRPLXWUQNDMMYSI-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]pentane
CID 106018827
4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
CID 106066730
[methyl-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propan-2-yl]amino]cyclopropane
CID 106094131
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
2-ethoxy-2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]propane
CID 106086729
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]bicyclo[2.2.1]heptane
CID 106067712
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]ethylcyclobutane
CID 106084813
2-methyl-1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]-2-methylsulfanylpropane
CID 106080844
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
2-(sulfamoylamino)butylcyclopropane
CID 112690847
N-(1-cyclopropylbutan-2-yl)-2-hydroxyethanesulfonamide
CID 79578428
3-[1-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethyl]pyridine
CID 106021144

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane?
The IUPAC name of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane (CID 106063912) is 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane.
What is the SMILES notation for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane?
The canonical SMILES for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane is CCC(CC1CC1)NS(=O)(=O)N(C)CCCNC(C)C.
What is the InChIKey of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane?
The InChIKey is RPLXWUQNDMMYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-5-14(11-13-7-8-13)16-20(18,19)17(4)10-6-9-15-12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane?
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane has a molecular weight of 305.49 g/mol, XLogP of 1.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butylcyclopropane is sourced from PubChem (CID 106063912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).