N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide

C13H29N3O3S — CID 61013916

IUPACN-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
SMILESCCCCNC(=O)C(C)NCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C13H29N3O3S/c1-5-7-9-15-13(17)12(3)14-10-8-11-16(6-2)20(4,18)19/h12,14H,5-11H2,1-4H3,(H,15,17)
InChIKeyLRXJAMSTUQTQOB-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.55
Rot. Bonds11

About N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide

N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide (PubChem CID 61013916) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
PubChem CID61013916
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
SMILESCCCCNC(=O)C(C)NCCCN(CC)S(C)(=O)=O
InChIInChI=1S/C13H29N3O3S/c1-5-7-9-15-13(17)12(3)14-10-8-11-16(6-2)20(4,18)19/h12,14H,5-11H2,1-4H3,(H,15,17)
InChIKeyLRXJAMSTUQTQOB-UHFFFAOYSA-N
XLogP0.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.55
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

N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
CID 62641738
1-[3-[ethyl(methylsulfonyl)amino]propyl]-3-propan-2-ylurea
CID 47062460
N-ethyl-N-[3-(hexan-3-ylamino)propyl]methanesulfonamide
CID 103921027
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
N-[3-(1-cyclopentylethylamino)propyl]-N-ethylmethanesulfonamide
CID 62632830
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2-dimethylpropanamide
CID 61150790
N-[3-[ethyl(methylsulfonyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62727869
N-[3-(1-ethoxypropan-2-ylamino)propyl]-N-ethylmethanesulfonamide
CID 115710905
tert-butyl N-[3-[ethyl(methylsulfonyl)amino]propyl]carbamate
CID 63788881
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
N-ethyl-N-tetradecylmethanesulfonamide
CID 91715481
N-butyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]propanamide
CID 43243844

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide?
The IUPAC name of N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide (CID 61013916) is N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide.
What is the SMILES notation for N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide?
The canonical SMILES for N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide is CCCCNC(=O)C(C)NCCCN(CC)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide?
The InChIKey is LRXJAMSTUQTQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-5-7-9-15-13(17)12(3)14-10-8-11-16(6-2)20(4,18)19/h12,14H,5-11H2,1-4H3,(H,15,17).
What are the key properties of N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide?
N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide has a molecular weight of 307.46 g/mol, XLogP of 0.55, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide is sourced from PubChem (CID 61013916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).