N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide

C12H26N2O5S2 — CID 113066194

IUPACN-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C12H26N2O5S2/c1-3-4-10-21(17,18)13-7-8-14(20(2,15)16)11-12-6-5-9-19-12/h12-13H,3-11H2,1-2H3
InChIKeyWBLFLVBUSBKOFO-UHFFFAOYSA-N
MW342.48 g/mol
LogP0.15
Rot. Bonds10

About N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide

N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide (PubChem CID 113066194) has the molecular formula C12H26N2O5S2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
PubChem CID113066194
Molecular FormulaC12H26N2O5S2
Molecular Weight342.48 g/mol
Exact Mass342.13
IUPAC NameN-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C12H26N2O5S2/c1-3-4-10-21(17,18)13-7-8-14(20(2,15)16)11-12-6-5-9-19-12/h12-13H,3-11H2,1-2H3
InChIKeyWBLFLVBUSBKOFO-UHFFFAOYSA-N
XLogP0.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide 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

N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
CID 113066193
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
5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide
CID 113066208
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butanamide
CID 113066133
3-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113066210
N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 110733190
N-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
CID 61248566
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-propan-2-ylacetamide
CID 113149591
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 113137944
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61435361

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide (CID 113066194) is N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCN(CC1CCCO1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide?
The InChIKey is WBLFLVBUSBKOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O5S2/c1-3-4-10-21(17,18)13-7-8-14(20(2,15)16)11-12-6-5-9-19-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide?
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide has a molecular weight of 342.48 g/mol, XLogP of 0.15, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 113066194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).