4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C15H24N2O4S — CID 97384702

IUPAC4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(S(=O)(=O)C3CC3)CC2)CN1CC1CC1
InChIInChI=1S/C15H24N2O4S/c18-14-10-21-15(11-16(14)9-12-1-2-12)5-7-17(8-6-15)22(19,20)13-3-4-13/h12-13H,1-11H2
InChIKeyBMWGBJRSVYNVQG-UHFFFAOYSA-N
MW328.43 g/mol
LogP0.58
Rot. Bonds4

About 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97384702) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97384702
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(S(=O)(=O)C3CC3)CC2)CN1CC1CC1
InChIInChI=1S/C15H24N2O4S/c18-14-10-21-15(11-16(14)9-12-1-2-12)5-7-17(8-6-15)22(19,20)13-3-4-13/h12-13H,1-11H2
InChIKeyBMWGBJRSVYNVQG-UHFFFAOYSA-N
XLogP0.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-9-(furan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384689
4-(cyclopropylmethyl)-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471430
4-(cyclopropylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131652382
(6S)-10-(cyclopropylmethyl)-4-cyclopropylsulfonyl-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97195348
9-cyclopropylsulfonyl-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 118743823
4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684237
4-(cyclopropylmethyl)-8-(4-methylcyclohexanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684285
9-ethylsulfonyl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451062
(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one
CID 97116245
9-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471486
4-(cyclopropylmethyl)-8-(thiadiazole-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684279
3-(cyclopropylmethyl)-8-propan-2-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 177091456

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97384702) is 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(S(=O)(=O)C3CC3)CC2)CN1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is BMWGBJRSVYNVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c18-14-10-21-15(11-16(14)9-12-1-2-12)5-7-17(8-6-15)22(19,20)13-3-4-13/h12-13H,1-11H2.
What are the key properties of 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 328.43 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97384702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).