(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

C16H25N3O4S — CID 97139553

IUPAC(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1noc(C)c1S(=O)(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C16H25N3O4S/c1-11(2)19-8-5-6-16(15(19)20)7-9-18(10-16)24(21,22)14-12(3)17-23-13(14)4/h11H,5-10H2,1-4H3/t16-/m0/s1
InChIKeyOGQWKEJCERVLGW-INIZCTEOSA-N
MW355.46 g/mol
LogP1.70
Rot. Bonds3

About (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97139553) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97139553
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1noc(C)c1S(=O)(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C16H25N3O4S/c1-11(2)19-8-5-6-16(15(19)20)7-9-18(10-16)24(21,22)14-12(3)17-23-13(14)4/h11H,5-10H2,1-4H3/t16-/m0/s1
InChIKeyOGQWKEJCERVLGW-INIZCTEOSA-N
XLogP1.70
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one (CID 97139553) is (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is Cc1noc(C)c1S(=O)(=O)N1CC[C@@]2(CCCN(C(C)C)C2=O)C1.
What is the InChIKey of (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is OGQWKEJCERVLGW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-11(2)19-8-5-6-16(15(19)20)7-9-18(10-16)24(21,22)14-12(3)17-23-13(14)4/h11H,5-10H2,1-4H3/t16-/m0/s1.
What are the key properties of (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 355.46 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97139553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).