3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide

C14H27N3O3S — CID 3233596

IUPAC3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C14H27N3O3S/c1-12(2)15-13(18)16-8-4-14(5-9-16)6-10-17(11-7-14)21(3,19)20/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyLUDWKWDDAXFHGV-UHFFFAOYSA-N
MW317.45 g/mol
LogP1.24
Rot. Bonds2

About 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide

3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 3233596) has the molecular formula C14H27N3O3S and a molecular weight of 317.45 g/mol. Its IUPAC name is 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID3233596
Molecular FormulaC14H27N3O3S
Molecular Weight317.45 g/mol
Exact Mass317.18
IUPAC Name3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC1)CCN(S(C)(=O)=O)CC2
InChIInChI=1S/C14H27N3O3S/c1-12(2)15-13(18)16-8-4-14(5-9-16)6-10-17(11-7-14)21(3,19)20/h12H,4-11H2,1-3H3,(H,15,18)
InChIKeyLUDWKWDDAXFHGV-UHFFFAOYSA-N
XLogP1.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide (CID 3233596) is 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide is CC(C)NC(=O)N1CCC2(CC1)CCN(S(C)(=O)=O)CC2.
What is the InChIKey of 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is LUDWKWDDAXFHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-12(2)15-13(18)16-8-4-14(5-9-16)6-10-17(11-7-14)21(3,19)20/h12H,4-11H2,1-3H3,(H,15,18).
What are the key properties of 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide?
3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 317.45 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-propan-2-yl-3,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 3233596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).