N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide

C12H27NO3S — CID 111466258

IUPACN-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-10(2)11(6-8-14)13-17(15,16)9-7-12(3,4)5/h10-11,13-14H,6-9H2,1-5H3
InChIKeyGUIYOFBSGNQBSM-UHFFFAOYSA-N
MW265.42 g/mol
LogP1.75
Rot. Bonds7

About N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide

N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 111466258) has the molecular formula C12H27NO3S and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID111466258
Molecular FormulaC12H27NO3S
Molecular Weight265.42 g/mol
Exact Mass265.17
IUPAC NameN-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCC(C)C(CCO)NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C12H27NO3S/c1-10(2)11(6-8-14)13-17(15,16)9-7-12(3,4)5/h10-11,13-14H,6-9H2,1-5H3
InChIKeyGUIYOFBSGNQBSM-UHFFFAOYSA-N
XLogP1.75
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103861215
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 103697877
N-(1-amino-4-methylpentan-3-yl)propane-1-sulfonamide
CID 106357404
tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate
CID 103773483
N-(1-hydroxy-4-methylpentan-3-yl)-2-(propylsulfonylamino)propanamide
CID 103782266
N-(5-chloropentan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103521746
2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
CID 104932555
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide
CID 79589473
N-[(3R)-3-aminobutyl]-3,3-dimethylbutane-1-sulfonamide
CID 100655614
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
N-(1-amino-4-methylpentan-3-yl)butane-1-sulfonamide
CID 106357360

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide (CID 111466258) is N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide is CC(C)C(CCO)NS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is GUIYOFBSGNQBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3S/c1-10(2)11(6-8-14)13-17(15,16)9-7-12(3,4)5/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide?
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 111466258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).