N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

C13H26N2O4S — CID 113137927

IUPACN-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCCC(C)NC(=O)CCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-4-11(2)14-13(16)7-8-15(20(3,17)18)10-12-6-5-9-19-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyRCTRNFKNNUFMKG-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.73
Rot. Bonds8

About N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide

N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (PubChem CID 113137927) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
PubChem CID113137927
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCCC(C)NC(=O)CCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C13H26N2O4S/c1-4-11(2)14-13(16)7-8-15(20(3,17)18)10-12-6-5-9-19-12/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyRCTRNFKNNUFMKG-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
2-ethyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066137
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066133
3-[[2-(butan-2-ylamino)-2-oxoethyl]-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82327343
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
N-(3,4-dimethylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138003
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 42780210
ethyl N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113066185
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
CID 113066193
3-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113137961

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide (CID 113137927) is N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is CCC(C)NC(=O)CCN(CC1CCCO1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
The InChIKey is RCTRNFKNNUFMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-4-11(2)14-13(16)7-8-15(20(3,17)18)10-12-6-5-9-19-12/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide?
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide has a molecular weight of 306.43 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 113137927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).