N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide

C12H26N2O3S — CID 95617460

IUPACN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
SMILESCC[C@H](C)N(C)CCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-4-11(2)14(3)8-7-13-18(15,16)12-5-9-17-10-6-12/h11-13H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyPRHGOQFNQOQVMF-NSHDSACASA-N
MW278.42 g/mol
LogP0.82
Rot. Bonds7

About N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide

N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide (PubChem CID 95617460) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
PubChem CID95617460
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide
SMILESCC[C@H](C)N(C)CCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-4-11(2)14(3)8-7-13-18(15,16)12-5-9-17-10-6-12/h11-13H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyPRHGOQFNQOQVMF-NSHDSACASA-N
XLogP0.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]piperidine-3-sulfonamide
CID 114134808
N'-butan-2-yl-N'-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 115685568
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]oxane-4-sulfonamide
CID 75376595
N-(2-hydroxypropyl)oxane-4-sulfonamide
CID 62050306
N-[(2R)-2-hydroxypropyl]oxane-4-sulfonamide
CID 83029694
N-(2-cyanopropyl)oxane-4-sulfonamide
CID 62653493
N-(1-cyanopropyl)oxane-4-sulfonamide
CID 62048262
N-(6-bromohexyl)oxane-4-sulfonamide
CID 107848871
N-(2-amino-3-ethylpentyl)oxane-4-sulfonamide
CID 114168552
N-(1-bromobutan-2-yl)oxane-4-sulfonamide
CID 114298444
N-(4-iodobutyl)oxane-4-sulfonamide
CID 106846685
2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 62675881

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide (CID 95617460) is N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide is CC[C@H](C)N(C)CCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide?
The InChIKey is PRHGOQFNQOQVMF-NSHDSACASA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-11(2)14(3)8-7-13-18(15,16)12-5-9-17-10-6-12/h11-13H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide?
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]oxane-4-sulfonamide is sourced from PubChem (CID 95617460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).