4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine

C8H21N3O3S — CID 106153951

IUPAC4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine
SMILESCOCC(CCN)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H21N3O3S/c1-7(2)10-15(12,13)11-8(4-5-9)6-14-3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyZHRDNHYHCVLKLZ-UHFFFAOYSA-N
MW239.34 g/mol
LogP-0.82
Rot. Bonds8

About 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine

4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine (PubChem CID 106153951) has the molecular formula C8H21N3O3S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine
PubChem CID106153951
Molecular FormulaC8H21N3O3S
Molecular Weight239.34 g/mol
Exact Mass239.13
IUPAC Name4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine
SMILESCOCC(CCN)NS(=O)(=O)NC(C)C
InChIInChI=1S/C8H21N3O3S/c1-7(2)10-15(12,13)11-8(4-5-9)6-14-3/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyZHRDNHYHCVLKLZ-UHFFFAOYSA-N
XLogP-0.82
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine
CID 106153953
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
CID 106181367
3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 114806743
2-N-(propan-2-ylsulfamoyl)hexane-1,2-diamine;hydrochloride
CID 120875561
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114150899
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900
N-(4-amino-1-methoxybutan-2-yl)-4-methoxy-3-methylbutanamide
CID 106152366
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
N-(4-amino-1-methoxybutan-2-yl)-1-ethylimidazole-4-sulfonamide
CID 106153983
methyl N-[(4-chloro-1-methoxybutan-2-yl)sulfamoyl]carbamate
CID 106158321

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine?
The IUPAC name of 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine (CID 106153951) is 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine.
What is the SMILES notation for 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine?
The canonical SMILES for 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine is COCC(CCN)NS(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine?
The InChIKey is ZHRDNHYHCVLKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O3S/c1-7(2)10-15(12,13)11-8(4-5-9)6-14-3/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine?
4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine has a molecular weight of 239.34 g/mol, XLogP of -0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine is sourced from PubChem (CID 106153951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).