3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide

C12H27N3O2S — CID 114139088

IUPAC3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C12H27N3O2S/c1-3-15(4-2)10-9-14-18(16,17)11-5-8-13-12-6-7-12/h12-14H,3-11H2,1-2H3
InChIKeyINVUZMNKCDPQLF-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.39
Rot. Bonds11

About 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide

3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide (PubChem CID 114139088) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
PubChem CID114139088
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
SMILESCCN(CC)CCNS(=O)(=O)CCCNC1CC1
InChIInChI=1S/C12H27N3O2S/c1-3-15(4-2)10-9-14-18(16,17)11-5-8-13-12-6-7-12/h12-14H,3-11H2,1-2H3
InChIKeyINVUZMNKCDPQLF-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.39
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-[2-[cyclopropyl(methyl)amino]ethyl]propane-1-sulfonamide
CID 106062793
N-[2-(diethylamino)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106034847
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
4-(cyclopropylamino)-N-(3,3-dimethylbutyl)butane-1-sulfonamide
CID 114142377
2-(cyclopropylamino)-N-[5-(diethylamino)pentan-2-yl]ethanesulfonamide
CID 106059732
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130
3-(cyclohexylamino)propane-1-sulfonic acid;N,N-diethylethanamine
CID 87233170

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide (CID 114139088) is 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide is CCN(CC)CCNS(=O)(=O)CCCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide?
The InChIKey is INVUZMNKCDPQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-3-15(4-2)10-9-14-18(16,17)11-5-8-13-12-6-7-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide?
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 114139088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).