N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide

C11H25N3O3S — CID 107404128

IUPACN-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H25N3O3S/c1-11(15)5-3-9-14(10-6-11)18(16,17)13(2)8-4-7-12/h15H,3-10,12H2,1-2H3
InChIKeyJHEQDXMANBZCIU-UHFFFAOYSA-N
MW279.41 g/mol
LogP-0.25
Rot. Bonds5

About N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide

N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide (PubChem CID 107404128) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
PubChem CID107404128
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC NameN-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
SMILESCN(CCCN)S(=O)(=O)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H25N3O3S/c1-11(15)5-3-9-14(10-6-11)18(16,17)13(2)8-4-7-12/h15H,3-10,12H2,1-2H3
InChIKeyJHEQDXMANBZCIU-UHFFFAOYSA-N
XLogP-0.25
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-methylpiperidine-1-sulfonamide
CID 28783231
N-(3-aminopropyl)-N-methyl-8-azaspiro[4.5]decane-8-sulfonamide
CID 63159100
4-hydroxy-4-methylazepane-1-sulfonamide
CID 107406904
1-[3-aminopropyl(methyl)sulfamoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318053
methyl 3-[(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-methylamino]propanoate
CID 81096925
N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
CID 114238612
N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide
CID 62973769
4-methyl-1-pyrrolidin-1-ylsulfonylazepan-4-ol
CID 107407041
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 103495211
1-butylsulfonyl-4-methylazepan-4-ol
CID 107407120
N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
CID 61456581

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide (CID 107404128) is N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide is CN(CCCN)S(=O)(=O)N1CCCC(C)(O)CC1.
What is the InChIKey of N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
The InChIKey is JHEQDXMANBZCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(15)5-3-9-14(10-6-11)18(16,17)13(2)8-4-7-12/h15H,3-10,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide?
N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide has a molecular weight of 279.41 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide is sourced from PubChem (CID 107404128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).