(5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide

C13H25N3O3S — CID 3234545

IUPAC(5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C13H25N3O3S/c1-11(2)14-12(17)15-8-6-13(9-15)5-4-7-16(10-13)20(3,18)19/h11H,4-10H2,1-3H3,(H,14,17)/t13-/m0/s1
InChIKeyBEJUIUSGRZJQQS-ZDUSSCGKSA-N
MW303.43 g/mol
LogP0.85
Rot. Bonds2

About (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234545) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234545
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name(5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(S(C)(=O)=O)C2)C1
InChIInChI=1S/C13H25N3O3S/c1-11(2)14-12(17)15-8-6-13(9-15)5-4-7-16(10-13)20(3,18)19/h11H,4-10H2,1-3H3,(H,14,17)/t13-/m0/s1
InChIKeyBEJUIUSGRZJQQS-ZDUSSCGKSA-N
XLogP0.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 3234545) is (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide is CC(C)NC(=O)N1CC[C@@]2(CCCN(S(C)(=O)=O)C2)C1.
What is the InChIKey of (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is BEJUIUSGRZJQQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-11(2)14-12(17)15-8-6-13(9-15)5-4-7-16(10-13)20(3,18)19/h11H,4-10H2,1-3H3,(H,14,17)/t13-/m0/s1.
What are the key properties of (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methylsulfonyl-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).