N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide

C10H23N3O3S — CID 62973769

IUPACN-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)CCCN)CCCO1
InChIInChI=1S/C10H23N3O3S/c1-10-9-13(7-4-8-16-10)17(14,15)12(2)6-3-5-11/h10H,3-9,11H2,1-2H3
InChIKeyGMWIDIYKJIAJSC-UHFFFAOYSA-N
MW265.38 g/mol
LogP-0.38
Rot. Bonds5

About N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide

N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide (PubChem CID 62973769) has the molecular formula C10H23N3O3S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide
PubChem CID62973769
Molecular FormulaC10H23N3O3S
Molecular Weight265.38 g/mol
Exact Mass265.15
IUPAC NameN-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)CCCN)CCCO1
InChIInChI=1S/C10H23N3O3S/c1-10-9-13(7-4-8-16-10)17(14,15)12(2)6-3-5-11/h10H,3-9,11H2,1-2H3
InChIKeyGMWIDIYKJIAJSC-UHFFFAOYSA-N
XLogP-0.38
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-aminopropyl)-N,3,4,5-tetramethylpiperazine-1-sulfonamide
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N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
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N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
CID 107404128
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
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N-(3-aminopropyl)-N-methyl-3,6-dihydro-2H-pyridine-1-sulfonamide
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N-(3-aminopropyl)-N-methyl-8-azaspiro[4.5]decane-8-sulfonamide
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N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide (CID 62973769) is N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide is CC1CN(S(=O)(=O)N(C)CCCN)CCCO1.
What is the InChIKey of N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide?
The InChIKey is GMWIDIYKJIAJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O3S/c1-10-9-13(7-4-8-16-10)17(14,15)12(2)6-3-5-11/h10H,3-9,11H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide?
N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide has a molecular weight of 265.38 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N,2-dimethyl-1,4-oxazepane-4-sulfonamide is sourced from PubChem (CID 62973769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).