N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide

C12H23N3O3S — CID 103872583

IUPACN-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)C1CC12CCNCC2
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-5-14-11(16)10-9-12(10)3-7-13-8-4-12/h10,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyMWHFSGTXXPXVNX-UHFFFAOYSA-N
MW289.40 g/mol
LogP-0.57
Rot. Bonds6

About N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 103872583) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID103872583
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCS(=O)(=O)NCCCNC(=O)C1CC12CCNCC2
InChIInChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-5-14-11(16)10-9-12(10)3-7-13-8-4-12/h10,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyMWHFSGTXXPXVNX-UHFFFAOYSA-N
XLogP-0.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid
CID 104685675
N-[2-(dimethylcarbamoylamino)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 83110512
N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 65107462
N-(2-bromoprop-2-enyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 115868385
N-propan-2-ylsulfonyl-6-azaspiro[2.5]octane-2-carboxamide
CID 103308054
N-(2-chloroprop-2-enyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 115868404
N-(3-oxo-3-piperidin-1-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 115868377
N-[3-(methanesulfonamido)propyl]-6-methylpiperidine-3-carboxamide
CID 106339565
N-[2-(2-methylpropylamino)-2-oxoethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 112547931
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 114756868
N-[3-(methanesulfonamido)propyl]-2-piperidin-4-ylsulfanylacetamide
CID 106336452
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-3-carboxamide
CID 114175575

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 103872583) is N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide is CS(=O)(=O)NCCCNC(=O)C1CC12CCNCC2.
What is the InChIKey of N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is MWHFSGTXXPXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-19(17,18)15-6-2-5-14-11(16)10-9-12(10)3-7-13-8-4-12/h10,13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)propyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 103872583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).