N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide

C10H20N4O3S — CID 114150900

IUPACN-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NC(CCN)COC)[nH]1
InChIInChI=1S/C10H20N4O3S/c1-3-9-12-6-10(13-9)18(15,16)14-8(4-5-11)7-17-2/h6,8,14H,3-5,7,11H2,1-2H3,(H,12,13)
InChIKeyWTQXENFCTBTBNN-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.39
Rot. Bonds8

About N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide

N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide (PubChem CID 114150900) 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)-2-ethyl-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
PubChem CID114150900
Molecular FormulaC10H20N4O3S
Molecular Weight276.36 g/mol
Exact Mass276.13
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
SMILESCCc1ncc(S(=O)(=O)NC(CCN)COC)[nH]1
InChIInChI=1S/C10H20N4O3S/c1-3-9-12-6-10(13-9)18(15,16)14-8(4-5-11)7-17-2/h6,8,14H,3-5,7,11H2,1-2H3,(H,12,13)
InChIKeyWTQXENFCTBTBNN-UHFFFAOYSA-N
XLogP-0.39
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide (CID 114150900) is N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide is CCc1ncc(S(=O)(=O)NC(CCN)COC)[nH]1.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
The InChIKey is WTQXENFCTBTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3S/c1-3-9-12-6-10(13-9)18(15,16)14-8(4-5-11)7-17-2/h6,8,14H,3-5,7,11H2,1-2H3,(H,12,13).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide?
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of -0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 114150900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).