4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide

C12H26N2O3S — CID 106054130

IUPAC4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
SMILESCOCCCCNS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C12H26N2O3S/c1-17-10-4-2-9-14-18(15,16)11-5-3-8-13-12-6-7-12/h12-14H,2-11H2,1H3
InChIKeyPUNKISAFMCCAHR-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.86
Rot. Bonds12

About 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide

4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide (PubChem CID 106054130) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
PubChem CID106054130
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
SMILESCOCCCCNS(=O)(=O)CCCCNC1CC1
InChIInChI=1S/C12H26N2O3S/c1-17-10-4-2-9-14-18(15,16)11-5-3-8-13-12-6-7-12/h12-14H,2-11H2,1H3
InChIKeyPUNKISAFMCCAHR-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.86
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

4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
2-methoxy-N-(4-methoxybutyl)ethanesulfonamide
CID 110416443
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
4-(cyclopropylamino)-N-(4,4,4-trifluorobutyl)butane-1-sulfonamide
CID 115522833
N-[3-(2-methoxyethylsulfonyl)propyl]cyclopropanamine
CID 64647289
3-hydroxy-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106002038
4-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]butane-1-sulfonamide
CID 106058743
1-(cyclopropylamino)-N-(5-methoxypentyl)propane-2-sulfonamide
CID 106092684
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide?
The IUPAC name of 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide (CID 106054130) is 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide is COCCCCNS(=O)(=O)CCCCNC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide?
The InChIKey is PUNKISAFMCCAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-17-10-4-2-9-14-18(15,16)11-5-3-8-13-12-6-7-12/h12-14H,2-11H2,1H3.
What are the key properties of 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide?
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.86, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide is sourced from PubChem (CID 106054130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).