3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine

C8H19N3O3S — CID 106153953

IUPAC3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine
SMILESCOCC(CCN)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H19N3O3S/c1-14-6-8(4-5-9)11-15(12,13)10-7-2-3-7/h7-8,10-11H,2-6,9H2,1H3
InChIKeyARAVRIVCQGEFNG-UHFFFAOYSA-N
MW237.32 g/mol
LogP-1.06
Rot. Bonds8

About 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine

3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine (PubChem CID 106153953) has the molecular formula C8H19N3O3S and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine
PubChem CID106153953
Molecular FormulaC8H19N3O3S
Molecular Weight237.32 g/mol
Exact Mass237.11
IUPAC Name3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine
SMILESCOCC(CCN)NS(=O)(=O)NC1CC1
InChIInChI=1S/C8H19N3O3S/c1-14-6-8(4-5-9)11-15(12,13)10-7-2-3-7/h7-8,10-11H,2-6,9H2,1H3
InChIKeyARAVRIVCQGEFNG-UHFFFAOYSA-N
XLogP-1.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine
CID 106153951
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415
N-(4-amino-1-methoxybutan-2-yl)benzenesulfonamide
CID 114150891
3-methoxy-2-N-(methylsulfamoyl)propane-1,2-diamine
CID 106181367
N-(butan-2-ylsulfamoyl)cyclopropanamine
CID 114383068
4-N-(cyclopropylsulfamoyl)pentane-2,4-diamine
CID 114812950
2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114806990
N-(4-amino-1-methoxybutan-2-yl)-1H-imidazole-5-sulfonamide
CID 106153872
N-(4-amino-1-methoxybutan-2-yl)-2-methyl-1H-imidazole-5-sulfonamide
CID 114150899
N-(4-amino-1-methoxybutan-2-yl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 114150900
N-(2-methoxyethylsulfamoyl)piperidin-4-amine
CID 114814237
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine?
The IUPAC name of 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine (CID 106153953) is 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine?
The canonical SMILES for 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine is COCC(CCN)NS(=O)(=O)NC1CC1.
What is the InChIKey of 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine?
The InChIKey is ARAVRIVCQGEFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O3S/c1-14-6-8(4-5-9)11-15(12,13)10-7-2-3-7/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine?
3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine has a molecular weight of 237.32 g/mol, XLogP of -1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopropylsulfamoyl)-4-methoxybutane-1,3-diamine is sourced from PubChem (CID 106153953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).