N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide

C12H21N3O4S2 — CID 114598708

IUPACN-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1ncccc1S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-4-15(21(3,18)19)10-6-9-14-12-11(20(2,16)17)7-5-8-13-12/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14)
InChIKeyUTMODTFPQMSAGV-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.57
Rot. Bonds8

About N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide (PubChem CID 114598708) has the molecular formula C12H21N3O4S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
PubChem CID114598708
Molecular FormulaC12H21N3O4S2
Molecular Weight335.45 g/mol
Exact Mass335.10
IUPAC NameN-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1ncccc1S(C)(=O)=O)S(C)(=O)=O
InChIInChI=1S/C12H21N3O4S2/c1-4-15(21(3,18)19)10-6-9-14-12-11(20(2,16)17)7-5-8-13-12/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14)
InChIKeyUTMODTFPQMSAGV-UHFFFAOYSA-N
XLogP0.57
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
CID 51892007
1-N-(3-methylsulfonyl-2-pyridinyl)pentane-1,4-diamine
CID 106127854
N'-(3-methylsulfonyl-2-pyridinyl)-N-propylethane-1,2-diamine
CID 114599239
N-ethyl-N-[3-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 66325411
2-methyl-N'-(3-methylsulfonyl-2-pyridinyl)pentane-1,5-diamine
CID 106155564
N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 55112617
N-butyl-N-ethyl-2-hydrazinylpyridine-3-sulfonamide
CID 43383623
N-[3-[(5-chloropyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 105369232
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
N-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 114156504
N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 115974608

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide (CID 114598708) is N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide is CCN(CCCNc1ncccc1S(C)(=O)=O)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide?
The InChIKey is UTMODTFPQMSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S2/c1-4-15(21(3,18)19)10-6-9-14-12-11(20(2,16)17)7-5-8-13-12/h5,7-8H,4,6,9-10H2,1-3H3,(H,13,14).
What are the key properties of N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 114598708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).