(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one

C17H29N3O4S — CID 97116245

IUPAC(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(S(=O)(=O)N3CCOCC3)C2)CN1CC1CC1
InChIInChI=1S/C17H29N3O4S/c21-16-4-6-17(13-18(16)12-15-2-3-15)5-1-7-20(14-17)25(22,23)19-8-10-24-11-9-19/h15H,1-14H2/t17-/m0/s1
InChIKeyQJOHUWLHRZDMOT-KRWDZBQOSA-N
MW371.50 g/mol
LogP0.68
Rot. Bonds4

About (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97116245) has the molecular formula C17H29N3O4S and a molecular weight of 371.50 g/mol. Its IUPAC name is (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97116245
Molecular FormulaC17H29N3O4S
Molecular Weight371.50 g/mol
Exact Mass371.19
IUPAC Name(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@@]2(CCCN(S(=O)(=O)N3CCOCC3)C2)CN1CC1CC1
InChIInChI=1S/C17H29N3O4S/c21-16-4-6-17(13-18(16)12-15-2-3-15)5-1-7-20(14-17)25(22,23)19-8-10-24-11-9-19/h15H,1-14H2/t17-/m0/s1
InChIKeyQJOHUWLHRZDMOT-KRWDZBQOSA-N
XLogP0.68
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 97118141
7-(cyclobutylmethyl)-2-morpholin-4-ylsulfonyl-2,7-diazaspiro[4.5]decan-6-one
CID 72858775
2-(cyclopropylmethyl)-8-(2-hydroxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72916173
N-cyclohexyl-2-[(6R)-2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97128681
8-cyclopropylsulfonyl-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72880462
2-(cyclopropylmethyl)-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70777892
2-(cyclopropylmethyl)-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70761551
2-(cyclopropylmethyl)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745770
2-[2-(cyclopropylmethyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carboxylic acid
CID 70718159
(6R)-2-(cyclopropylmethyl)-N-[(4-methylphenyl)methyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97132229
(6R)-2-(cyclopropylmethyl)-8-[2-[4-(dimethylamino)phenyl]acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97156784
2-(2-hydroxypropyl)-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72848200

Frequently Asked Questions

What is the IUPAC name of (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one (CID 97116245) is (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@@]2(CCCN(S(=O)(=O)N3CCOCC3)C2)CN1CC1CC1.
What is the InChIKey of (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is QJOHUWLHRZDMOT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H29N3O4S/c21-16-4-6-17(13-18(16)12-15-2-3-15)5-1-7-20(14-17)25(22,23)19-8-10-24-11-9-19/h15H,1-14H2/t17-/m0/s1.
What are the key properties of (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.50 g/mol, XLogP of 0.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(cyclopropylmethyl)-8-morpholin-4-ylsulfonyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97116245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).