N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide

C14H28N2O3S — CID 106336440

IUPACN-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-20(17,18)16-10-5-9-15-13-6-11-19-14(12-13)7-3-2-4-8-14/h13,15-16H,2-12H2,1H3
InChIKeyHYKPUFJYTAKDKH-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.40
Rot. Bonds6

About N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide

N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide (PubChem CID 106336440) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide
PubChem CID106336440
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H28N2O3S/c1-20(17,18)16-10-5-9-15-13-6-11-19-14(12-13)7-3-2-4-8-14/h13,15-16H,2-12H2,1H3
InChIKeyHYKPUFJYTAKDKH-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N'-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 79899327
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
ethyl 4-(1-oxaspiro[5.5]undecan-4-ylamino)butanoate
CID 79904131
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
N-[(1-methylcyclopropyl)methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 107166629
N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N'-methyl-N-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylethane-1,2-diamine
CID 79903260
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895066

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide?
The IUPAC name of N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide (CID 106336440) is N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide is CS(=O)(=O)NCCCNC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide?
The InChIKey is HYKPUFJYTAKDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-20(17,18)16-10-5-9-15-13-6-11-19-14(12-13)7-3-2-4-8-14/h13,15-16H,2-12H2,1H3.
What are the key properties of N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide?
N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide is sourced from PubChem (CID 106336440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).