N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide

C14H31NO4S — CID 89118519

IUPACN-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCC[C@H](C)O[C@H](CCO)CN(C(C)(C)CC)S(C)(=O)=O
InChIInChI=1S/C14H31NO4S/c1-7-12(3)19-13(9-10-16)11-15(20(6,17)18)14(4,5)8-2/h12-13,16H,7-11H2,1-6H3/t12-,13+/m0/s1
InChIKeyHRMIQBIMGUZURK-QWHCGFSZSA-N
MW309.47 g/mol
LogP2.00
Rot. Bonds10

About N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide

N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide (PubChem CID 89118519) has the molecular formula C14H31NO4S and a molecular weight of 309.47 g/mol. Its IUPAC name is N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide
PubChem CID89118519
Molecular FormulaC14H31NO4S
Molecular Weight309.47 g/mol
Exact Mass309.20
IUPAC NameN-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCC[C@H](C)O[C@H](CCO)CN(C(C)(C)CC)S(C)(=O)=O
InChIInChI=1S/C14H31NO4S/c1-7-12(3)19-13(9-10-16)11-15(20(6,17)18)14(4,5)8-2/h12-13,16H,7-11H2,1-6H3/t12-,13+/m0/s1
InChIKeyHRMIQBIMGUZURK-QWHCGFSZSA-N
XLogP2.00
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-3-[2-methylbutan-2-yl(methylsulfonyl)amino]-2-propan-2-yloxypropyl] (2S)-2-amino-4-methylpentanoate
CID 89118508
2-butan-2-yloxybutane;3-methylbutan-1-ol
CID 175296093
[(2S)-2-[(2S)-butan-2-yl]oxy-3-[ethyl(methylsulfonyl)amino]propyl] dihydrogen phosphate
CID 88991792
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] hydrogen sulfate
CID 88980989
(2S)-3-[tert-butyl-(methyl-methylidene-oxo-λ6-sulfanyl)amino]-2-[(2R)-3,3-dimethylbutan-2-yl]oxypropan-1-ol
CID 157332725
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] 2-aminoacetate
CID 88980895
N-tert-butyl-2-(3,3-dimethylbutan-2-yloxy)-N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-methylsulfonylbutan-1-amine
CID 157196691
2-butan-2-yloxybutane;ethanol
CID 88614162
N-tert-butyl-N-[(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]oxy-3-[methyl(methylidene)-λ4-sulfanyl]propyl]methanesulfonamide
CID 88980591
N-tert-butyl-N-[2-(3,3-dimethylbutan-2-yloxy)-3-(2-methoxyethoxy)propyl]methanesulfonamide
CID 88980982
[(2S)-3-[tert-butyl(methylsulfonyl)amino]-2-[(2S)-3,3-dimethylbutan-2-yl]oxypropyl] (2S)-2-amino-3-methoxypropanoate
CID 88980625
5-butan-2-yloxy-2-ethyl-N,N,4,4-tetramethyl-6-[methylsulfonyl(propan-2-yl)amino]hexanamide
CID 118241926

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide (CID 89118519) is N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide is CC[C@H](C)O[C@H](CCO)CN(C(C)(C)CC)S(C)(=O)=O.
What is the InChIKey of N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
The InChIKey is HRMIQBIMGUZURK-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H31NO4S/c1-7-12(3)19-13(9-10-16)11-15(20(6,17)18)14(4,5)8-2/h12-13,16H,7-11H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide?
N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide has a molecular weight of 309.47 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2S)-butan-2-yl]oxy-4-hydroxybutyl]-N-(2-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 89118519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).