3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide

C11H24N2O3S — CID 106068345

IUPAC3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide
SMILESCCC(COC)NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C11H24N2O3S/c1-3-10(9-16-2)13-17(14,15)8-4-7-12-11-5-6-11/h10-13H,3-9H2,1-2H3
InChIKeyNSQOIVQCIGJSIE-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.47
Rot. Bonds10

About 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide (PubChem CID 106068345) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide
PubChem CID106068345
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide
SMILESCCC(COC)NS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C11H24N2O3S/c1-3-10(9-16-2)13-17(14,15)8-4-7-12-11-5-6-11/h10-13H,3-9H2,1-2H3
InChIKeyNSQOIVQCIGJSIE-UHFFFAOYSA-N
XLogP0.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
4-(ethylamino)-N-(1-methoxybutan-2-yl)butane-1-sulfonamide
CID 106068224
3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
CID 106066791
N-[3-(2-methoxyethylsulfonyl)propyl]cyclopropanamine
CID 64647289
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
N-(1-cyclopropylbutan-2-yl)-3-(methylamino)propane-1-sulfonamide
CID 106063954
3-(cyclopropylamino)-N-[1-(4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 106070641
[3-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
3-(cyclopropylamino)-N-(1-morpholin-4-ylpropan-2-yl)propane-1-sulfonamide
CID 106003094
3-(cyclopropylamino)-N-(2,3,3-trimethylbutyl)propane-1-sulfonamide
CID 83147568
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide (CID 106068345) is 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide is CCC(COC)NS(=O)(=O)CCCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide?
The InChIKey is NSQOIVQCIGJSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-3-10(9-16-2)13-17(14,15)8-4-7-12-11-5-6-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide has a molecular weight of 264.39 g/mol, XLogP of 0.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(1-methoxybutan-2-yl)propane-1-sulfonamide is sourced from PubChem (CID 106068345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).