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

C18H27N3O3S — CID 3233400

IUPAC(5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C18H27N3O3S/c1-15(2)19-17(22)20-12-10-18(13-20)9-6-11-21(14-18)25(23,24)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,19,22)/t18-/m0/s1
InChIKeyLDRNMLBLFWOZCR-SFHVURJKSA-N
MW365.50 g/mol
LogP2.28
Rot. Bonds3

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

(5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3233400) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3233400
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name(5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1
InChIInChI=1S/C18H27N3O3S/c1-15(2)19-17(22)20-12-10-18(13-20)9-6-11-21(14-18)25(23,24)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,19,22)/t18-/m0/s1
InChIKeyLDRNMLBLFWOZCR-SFHVURJKSA-N
XLogP2.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 3233400) is (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide is CC(C)NC(=O)N1CC[C@@]2(CCCN(S(=O)(=O)c3ccccc3)C2)C1.
What is the InChIKey of (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is LDRNMLBLFWOZCR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-15(2)19-17(22)20-12-10-18(13-20)9-6-11-21(14-18)25(23,24)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,19,22)/t18-/m0/s1.
What are the key properties of (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(benzenesulfonyl)-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3233400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).