N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine

C14H24N4O2S — CID 97451156

IUPACN,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine
SMILESCN(C)C1CC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C14H24N4O2S/c1-16(2)12-8-14(9-12)4-6-18(7-5-14)21(19,20)13-10-17(3)11-15-13/h10-12H,4-9H2,1-3H3
InChIKeyKZZJABILLBPSSX-UHFFFAOYSA-N
MW312.44 g/mol
LogP0.92
Rot. Bonds3

About N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine

N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine (PubChem CID 97451156) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine
PubChem CID97451156
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine
SMILESCN(C)C1CC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1
InChIInChI=1S/C14H24N4O2S/c1-16(2)12-8-14(9-12)4-6-18(7-5-14)21(19,20)13-10-17(3)11-15-13/h10-12H,4-9H2,1-3H3
InChIKeyKZZJABILLBPSSX-UHFFFAOYSA-N
XLogP0.92
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine (CID 97451156) is N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine is CN(C)C1CC2(CCN(S(=O)(=O)c3cn(C)cn3)CC2)C1.
What is the InChIKey of N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is KZZJABILLBPSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-16(2)12-8-14(9-12)4-6-18(7-5-14)21(19,20)13-10-17(3)11-15-13/h10-12H,4-9H2,1-3H3.
What are the key properties of N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine?
N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 312.44 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(1-methylimidazol-4-yl)sulfonyl-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 97451156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).