N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide

C10H21N3O3S — CID 113481327

IUPACN-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide
SMILESCCC(CN)S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C10H21N3O3S/c1-2-9(7-11)17(15,16)13-6-5-12-10(14)8-3-4-8/h8-9,13H,2-7,11H2,1H3,(H,12,14)
InChIKeyUOTGUPDPPJWKBB-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.83
Rot. Bonds8

About N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide

N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide (PubChem CID 113481327) has the molecular formula C10H21N3O3S and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide
PubChem CID113481327
Molecular FormulaC10H21N3O3S
Molecular Weight263.36 g/mol
Exact Mass263.13
IUPAC NameN-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide
SMILESCCC(CN)S(=O)(=O)NCCNC(=O)C1CC1
InChIInChI=1S/C10H21N3O3S/c1-2-9(7-11)17(15,16)13-6-5-12-10(14)8-3-4-8/h8-9,13H,2-7,11H2,1H3,(H,12,14)
InChIKeyUOTGUPDPPJWKBB-UHFFFAOYSA-N
XLogP-0.83
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-[[(2S)-2-methylbutyl]amino]ethyl]cyclopropanecarboxamide
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1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide (CID 113481327) is N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide is CCC(CN)S(=O)(=O)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is UOTGUPDPPJWKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3S/c1-2-9(7-11)17(15,16)13-6-5-12-10(14)8-3-4-8/h8-9,13H,2-7,11H2,1H3,(H,12,14).
What are the key properties of N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide?
N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 263.36 g/mol, XLogP of -0.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminobutan-2-ylsulfonylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 113481327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).