N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide

C12H25N3O3S — CID 61488529

IUPACN-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
SMILESCCN(CCCNCC(=O)N(C)C1CC1)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-4-15(19(3,17)18)9-5-8-13-10-12(16)14(2)11-6-7-11/h11,13H,4-10H2,1-3H3
InChIKeyDHJIJPJOOMQRES-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.13
Rot. Bonds9

About N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide

N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide (PubChem CID 61488529) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
PubChem CID61488529
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
SMILESCCN(CCCNCC(=O)N(C)C1CC1)S(C)(=O)=O
InChIInChI=1S/C12H25N3O3S/c1-4-15(19(3,17)18)9-5-8-13-10-12(16)14(2)11-6-7-11/h11,13H,4-10H2,1-3H3
InChIKeyDHJIJPJOOMQRES-UHFFFAOYSA-N
XLogP-0.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide
CID 54903444
N-cyclopropyl-2-[3-(diethylamino)propylamino]-N-ethylacetamide
CID 54957328
N-cyclopropyl-2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62976669
N-cyclopropyl-N-methyl-2-[3-(N-methylanilino)propylamino]acetamide
CID 61488484
N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
CID 79168502
N-ethyl-N-[3-(3-ethylsulfonylpropylamino)propyl]methanesulfonamide
CID 65093412
N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 65045736
N-ethyl-N-[3-[(3-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 64502160
N-cyclohexyl-2-(3-methoxypropylamino)-N-methylacetamide
CID 54829340
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
CID 62632830

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide?
The IUPAC name of N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide (CID 61488529) is N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide?
The canonical SMILES for N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide is CCN(CCCNCC(=O)N(C)C1CC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide?
The InChIKey is DHJIJPJOOMQRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-4-15(19(3,17)18)9-5-8-13-10-12(16)14(2)11-6-7-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide?
N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide has a molecular weight of 291.42 g/mol, XLogP of -0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]-N-methylacetamide is sourced from PubChem (CID 61488529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).