(5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one

C17H29N3O3S — CID 97490068

IUPAC(5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CCN2CCCC2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C17H29N3O3S/c21-16-17(7-11-19(16)13-12-18-8-1-2-9-18)6-3-10-20(14-17)24(22,23)15-4-5-15/h15H,1-14H2/t17-/m1/s1
InChIKeyBMUHXAMEAQRZQN-QGZVFWFLSA-N
MW355.50 g/mol
LogP0.89
Rot. Bonds5

About (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490068) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490068
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC Name(5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(CCN2CCCC2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C17H29N3O3S/c21-16-17(7-11-19(16)13-12-18-8-1-2-9-18)6-3-10-20(14-17)24(22,23)15-4-5-15/h15H,1-14H2/t17-/m1/s1
InChIKeyBMUHXAMEAQRZQN-QGZVFWFLSA-N
XLogP0.89
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97490068) is (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(CCN2CCCC2)CC[C@@]12CCCN(S(=O)(=O)C1CC1)C2.
What is the InChIKey of (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is BMUHXAMEAQRZQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29N3O3S/c21-16-17(7-11-19(16)13-12-18-8-1-2-9-18)6-3-10-20(14-17)24(22,23)15-4-5-15/h15H,1-14H2/t17-/m1/s1.
What are the key properties of (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 355.50 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-cyclopropylsulfonyl-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).