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

C11H24N2O5S2 — CID 113066193

IUPACN-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C11H24N2O5S2/c1-3-9-20(16,17)12-6-7-13(19(2,14)15)10-11-5-4-8-18-11/h11-12H,3-10H2,1-2H3
InChIKeyDUAQWKKBIBXAFK-UHFFFAOYSA-N
MW328.46 g/mol
LogP-0.24
Rot. Bonds9

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

N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide (PubChem CID 113066193) has the molecular formula C11H24N2O5S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
PubChem CID113066193
Molecular FormulaC11H24N2O5S2
Molecular Weight328.46 g/mol
Exact Mass328.11
IUPAC NameN-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCN(CC1CCCO1)S(C)(=O)=O
InChIInChI=1S/C11H24N2O5S2/c1-3-9-20(16,17)12-6-7-13(19(2,14)15)10-11-5-4-8-18-11/h11-12H,3-10H2,1-2H3
InChIKeyDUAQWKKBIBXAFK-UHFFFAOYSA-N
XLogP-0.24
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]butane-1-sulfonamide
CID 113066194
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-butan-2-yl-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137927
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
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-(oxolan-2-ylmethyl)-2-(propylsulfonylamino)acetamide
CID 112991356

Frequently Asked Questions

What is the IUPAC name of N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide (CID 113066193) is N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCN(CC1CCCO1)S(C)(=O)=O.
What is the InChIKey of N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide?
The InChIKey is DUAQWKKBIBXAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O5S2/c1-3-9-20(16,17)12-6-7-13(19(2,14)15)10-11-5-4-8-18-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide?
N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]propane-1-sulfonamide has a molecular weight of 328.46 g/mol, XLogP of -0.24, 9 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]propane-1-sulfonamide is sourced from PubChem (CID 113066193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).