2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one

C16H29N3O4S — CID 97112767

IUPAC2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](O)CN1CC2(CCC1=O)CCN(S(=O)(=O)N1CCCC1)CC2
InChIInChI=1S/C16H29N3O4S/c1-14(20)12-17-13-16(5-4-15(17)21)6-10-19(11-7-16)24(22,23)18-8-2-3-9-18/h14,20H,2-13H2,1H3/t14-/m1/s1
InChIKeyONVNVRWWXUVKHG-CQSZACIVSA-N
MW359.49 g/mol
LogP0.41
Rot. Bonds4

About 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one

2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97112767) has the molecular formula C16H29N3O4S and a molecular weight of 359.49 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97112767
Molecular FormulaC16H29N3O4S
Molecular Weight359.49 g/mol
Exact Mass359.19
IUPAC Name2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESC[C@@H](O)CN1CC2(CCC1=O)CCN(S(=O)(=O)N1CCCC1)CC2
InChIInChI=1S/C16H29N3O4S/c1-14(20)12-17-13-16(5-4-15(17)21)6-10-19(11-7-16)24(22,23)18-8-2-3-9-18/h14,20H,2-13H2,1H3/t14-/m1/s1
InChIKeyONVNVRWWXUVKHG-CQSZACIVSA-N
XLogP0.41
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97112767) is 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one is C[C@@H](O)CN1CC2(CCC1=O)CCN(S(=O)(=O)N1CCCC1)CC2.
What is the InChIKey of 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ONVNVRWWXUVKHG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N3O4S/c1-14(20)12-17-13-16(5-4-15(17)21)6-10-19(11-7-16)24(22,23)18-8-2-3-9-18/h14,20H,2-13H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one?
2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.49 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxypropyl]-9-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97112767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).