3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide

C13H26N2O4S — CID 113066133

IUPAC3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
SMILESCC(C)CC(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-11(2)9-13(16)14-6-7-15(20(3,17)18)10-12-5-4-8-19-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyZFVAIGVPVMTZQL-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.59
Rot. Bonds8

About 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide

3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide (PubChem CID 113066133) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
PubChem CID113066133
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC Name3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
SMILESCC(C)CC(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-11(2)9-13(16)14-6-7-15(20(3,17)18)10-12-5-4-8-19-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyZFVAIGVPVMTZQL-UHFFFAOYSA-N
XLogP0.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066137
ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113066185
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
CID 113066193
N-[2-[cycloheptyl(methylsulfonyl)amino]ethyl]-3-methylbutanamide
CID 113068123
N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]oxolane-2-carboxamide
CID 113065451
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
CID 113066194
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113137944
N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137971

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide (CID 113066133) is 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide is CC(C)CC(=O)NCCN(CC1CCCO1)S(C)(=O)=O.
What is the InChIKey of 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide?
The InChIKey is ZFVAIGVPVMTZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-11(2)9-13(16)14-6-7-15(20(3,17)18)10-12-5-4-8-19-12/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide?
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide has a molecular weight of 306.43 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide is sourced from PubChem (CID 113066133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).