4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide

C13H28N2O3S — CID 107407107

IUPAC4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C13H28N2O3S/c1-4-9-14(10-5-2)19(17,18)15-11-6-7-13(3,16)8-12-15/h16H,4-12H2,1-3H3
InChIKeyGOSMPVPMPIIBEM-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.59
Rot. Bonds6

About 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide

4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide (PubChem CID 107407107) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide
PubChem CID107407107
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC Name4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C13H28N2O3S/c1-4-9-14(10-5-2)19(17,18)15-11-6-7-13(3,16)8-12-15/h16H,4-12H2,1-3H3
InChIKeyGOSMPVPMPIIBEM-UHFFFAOYSA-N
XLogP1.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide?
The IUPAC name of 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide (CID 107407107) is 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide?
The InChIKey is GOSMPVPMPIIBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-4-9-14(10-5-2)19(17,18)15-11-6-7-13(3,16)8-12-15/h16H,4-12H2,1-3H3.
What are the key properties of 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide?
4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-N,N-dipropylazepane-1-sulfonamide is sourced from PubChem (CID 107407107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).