N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide

C11H25NO3S — CID 143141557

IUPACN-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide
SMILESCCCCC(CC)N(CC(C)O)S(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-5-7-8-11(6-2)12(9-10(3)13)16(4,14)15/h10-11,13H,5-9H2,1-4H3
InChIKeyPTPYYJFMUOSPPT-UHFFFAOYSA-N
MW251.39 g/mol
LogP1.60
Rot. Bonds8

About N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide

N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide (PubChem CID 143141557) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide.

Molecular Properties

Compound NameN-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide
PubChem CID143141557
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide
SMILESCCCCC(CC)N(CC(C)O)S(C)(=O)=O
InChIInChI=1S/C11H25NO3S/c1-5-7-8-11(6-2)12(9-10(3)13)16(4,14)15/h10-11,13H,5-9H2,1-4H3
InChIKeyPTPYYJFMUOSPPT-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methylsulfonylpiperidin-2-yl)ethanol
CID 84067578
1-(1-Methylsulfonylpiperidin-2-yl)propan-1-ol
CID 84068729
N-cyclohexyl-N-[(2S)-2-hydroxypropyl]cyclopropanesulfonamide
CID 164635570
N-cyclohexyl-3-fluoro-N-(2-hydroxypropyl)propane-1-sulfonamide
CID 112406515
N-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3330229
N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 61582939
N-cyclopentyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61583420
N-hexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 64591574
N-(2-hydroxypropyl)-N-undecylmethanesulfonamide
CID 88308896
N-butyl-N-(2-hydroxypropyl)methanesulfonamide
CID 88309247
N-(2-hydroxypropyl)-N-octylmethanesulfonamide
CID 88309436
N-cycloheptyl-N-(2-hydroxyethyl)propane-1-sulfonamide
CID 96253129

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide?
The IUPAC name of N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide (CID 143141557) is N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide.
What is the SMILES notation for N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide?
The canonical SMILES for N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide is CCCCC(CC)N(CC(C)O)S(C)(=O)=O.
What is the InChIKey of N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide?
The InChIKey is PTPYYJFMUOSPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3S/c1-5-7-8-11(6-2)12(9-10(3)13)16(4,14)15/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide?
N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide has a molecular weight of 251.39 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-N-(2-hydroxypropyl)methanesulfonamide is sourced from PubChem (CID 143141557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).