N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide

C11H24N2O2S — CID 115715078

IUPACN-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide
SMILESCCC(NCCCNS(=O)(=O)CC)C1CC1
InChIInChI=1S/C11H24N2O2S/c1-3-11(10-6-7-10)12-8-5-9-13-16(14,15)4-2/h10-13H,3-9H2,1-2H3
InChIKeyDXRYOCBEFAQXPL-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.09
Rot. Bonds9

About N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide

N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide (PubChem CID 115715078) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide
PubChem CID115715078
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide
SMILESCCC(NCCCNS(=O)(=O)CC)C1CC1
InChIInChI=1S/C11H24N2O2S/c1-3-11(10-6-7-10)12-8-5-9-13-16(14,15)4-2/h10-13H,3-9H2,1-2H3
InChIKeyDXRYOCBEFAQXPL-UHFFFAOYSA-N
XLogP1.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyclopropylpropyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 115708770
methyl 4-(1-cyclopropylpropylamino)butanoate
CID 64919715
N-(1-cyclopropylpropyl)hex-5-yn-1-amine
CID 103903633
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
N-[3-(pentan-2-ylamino)propyl]ethanesulfonamide
CID 115715062
ethyl 4-(1-cyclopropylpropylamino)butanoate
CID 64917599
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[3-(ethylsulfonylamino)propyl]-2-methylpiperidine-1-sulfonamide
CID 49459657
1-cyclopropyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]propan-1-amine
CID 64917592
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698
1-cyclohexyl-N-(2-methylsulfanylethyl)propan-1-amine
CID 115706234
N-[3-(2-methylpropylamino)propyl]ethanesulfonamide
CID 115876188

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide (CID 115715078) is N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide is CCC(NCCCNS(=O)(=O)CC)C1CC1.
What is the InChIKey of N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide?
The InChIKey is DXRYOCBEFAQXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-11(10-6-7-10)12-8-5-9-13-16(14,15)4-2/h10-13H,3-9H2,1-2H3.
What are the key properties of N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide?
N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropylpropylamino)propyl]ethanesulfonamide is sourced from PubChem (CID 115715078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).