N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide

C10H20N4O3S — CID 106153983

IUPACN-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC(CCN)COC)c1
InChIInChI=1S/C10H20N4O3S/c1-3-14-6-10(12-8-14)18(15,16)13-9(4-5-11)7-17-2/h6,8-9,13H,3-5,7,11H2,1-2H3
InChIKeyAYYRZQPLBOGOAT-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.45
Rot. Bonds8

About N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide

N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide (PubChem CID 106153983) has the molecular formula C10H20N4O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide
PubChem CID106153983
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide
SMILESCCn1cnc(S(=O)(=O)NC(CCN)COC)c1
InChIInChI=1S/C10H20N4O3S/c1-3-14-6-10(12-8-14)18(15,16)13-9(4-5-11)7-17-2/h6,8-9,13H,3-5,7,11H2,1-2H3
InChIKeyAYYRZQPLBOGOAT-UHFFFAOYSA-N
XLogP-0.45
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide (CID 106153983) is N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide is CCn1cnc(S(=O)(=O)NC(CCN)COC)c1.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide?
The InChIKey is AYYRZQPLBOGOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-3-14-6-10(12-8-14)18(15,16)13-9(4-5-11)7-17-2/h6,8-9,13H,3-5,7,11H2,1-2H3.
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide?
N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide is sourced from PubChem (CID 106153983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).