N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide

C16H35NO4S — CID 88991711

IUPACN-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide
SMILESCCC(O)CC(C)(C)C(CNS(C)(=O)=O)OC(C)C(C)(C)C
InChIInChI=1S/C16H35NO4S/c1-9-13(18)10-16(6,7)14(11-17-22(8,19)20)21-12(2)15(3,4)5/h12-14,17-18H,9-11H2,1-8H3
InChIKeyIKEWLYGAUATFQN-UHFFFAOYSA-N
MW337.53 g/mol
LogP2.54
Rot. Bonds9

About N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide

N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide (PubChem CID 88991711) has the molecular formula C16H35NO4S and a molecular weight of 337.53 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide
PubChem CID88991711
Molecular FormulaC16H35NO4S
Molecular Weight337.53 g/mol
Exact Mass337.23
IUPAC NameN-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide
SMILESCCC(O)CC(C)(C)C(CNS(C)(=O)=O)OC(C)C(C)(C)C
InChIInChI=1S/C16H35NO4S/c1-9-13(18)10-16(6,7)14(11-17-22(8,19)20)21-12(2)15(3,4)5/h12-14,17-18H,9-11H2,1-8H3
InChIKeyIKEWLYGAUATFQN-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.53
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,3-dimethyl-4-[(R)-methylsulfinyl]-2-propan-2-yloxybutyl]methanesulfonamide
CID 118241784
N-(4-azido-3,3-dimethyl-2-propan-2-yloxybutyl)methanesulfonamide
CID 118241711
N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991593
[(2S)-3-(methanesulfonamido)-2-[(2S)-3,3,5-trimethylhexan-2-yl]oxypropyl] 2-(dimethylamino)acetate
CID 118241888
5-(5-hydroxy-3-methylheptan-3-yl)peroxy-5-methylheptan-3-ol
CID 54376385
N-(2-hydroxy-4,4-dimethylpentyl)propane-1-sulfonamide
CID 56794319
N-(2-bromopropyl)methanesulfonamide
CID 114295652
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
[(2S)-3-(methanesulfonamido)-2-propan-2-yloxypropyl] (2S,3S)-2-amino-3-methylpentanoate
CID 121481056
N-[2-(1,1,1-trifluoro-3-methylbutan-2-yl)oxyethyl]methanesulfonamide
CID 87729367
5-amino-5-(2-hydroxy-4-methylpentoxy)hexan-3-ol
CID 155443640
2,4-dihydroxyhexan-2-yl 2-methylpropanoate
CID 141043287

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide?
The IUPAC name of N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide (CID 88991711) is N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide?
The canonical SMILES for N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide is CCC(O)CC(C)(C)C(CNS(C)(=O)=O)OC(C)C(C)(C)C.
What is the InChIKey of N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide?
The InChIKey is IKEWLYGAUATFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO4S/c1-9-13(18)10-16(6,7)14(11-17-22(8,19)20)21-12(2)15(3,4)5/h12-14,17-18H,9-11H2,1-8H3.
What are the key properties of N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide?
N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide has a molecular weight of 337.53 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutan-2-yloxy)-5-hydroxy-3,3-dimethylheptyl]methanesulfonamide is sourced from PubChem (CID 88991711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).