N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide

C11H25N3O3S — CID 113136060

IUPACN-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(=O)NCCN(C)C)S(C)(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-10(2)14(18(5,16)17)8-6-11(15)12-7-9-13(3)4/h10H,6-9H2,1-5H3,(H,12,15)
InChIKeyZVXNIXCSDJMCJW-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.28
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide

N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide (PubChem CID 113136060) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
PubChem CID113136060
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(CCC(=O)NCCN(C)C)S(C)(=O)=O
InChIInChI=1S/C11H25N3O3S/c1-10(2)14(18(5,16)17)8-6-11(15)12-7-9-13(3)4/h10H,6-9H2,1-5H3,(H,12,15)
InChIKeyZVXNIXCSDJMCJW-UHFFFAOYSA-N
XLogP-0.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 164995161
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
N-[2-(dimethylamino)ethyl]-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137638
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-methylpropyl)propanamide
CID 113137004
N-[2-(dimethylamino)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153198
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142352
3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146558
(2S)-2-amino-N'-[2-(dimethylamino)ethyl]pentanediamide
CID 58987538
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide (CID 113136060) is N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide is CC(C)N(CCC(=O)NCCN(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
The InChIKey is ZVXNIXCSDJMCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-10(2)14(18(5,16)17)8-6-11(15)12-7-9-13(3)4/h10H,6-9H2,1-5H3,(H,12,15).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide?
N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide has a molecular weight of 279.41 g/mol, XLogP of -0.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 113136060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).