(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide

C15H25N5O3S — CID 124802522

IUPAC(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
SMILESCc1cnc(NCC[C@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)nc1
InChIInChI=1S/C15H25N5O3S/c1-12-8-17-14(18-9-12)16-6-4-13-5-7-23-15(13)10-20(11-15)24(21,22)19(2)3/h8-9,13H,4-7,10-11H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyPEGVKYGOUSKXNU-ZDUSSCGKSA-N
MW355.46 g/mol
LogP0.48
Rot. Bonds6

About (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide

(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide (PubChem CID 124802522) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide.

Molecular Properties

Compound Name(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
PubChem CID124802522
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide
SMILESCc1cnc(NCC[C@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)nc1
InChIInChI=1S/C15H25N5O3S/c1-12-8-17-14(18-9-12)16-6-4-13-5-7-23-15(13)10-20(11-15)24(21,22)19(2)3/h8-9,13H,4-7,10-11H2,1-3H3,(H,16,17,18)/t13-/m0/s1
InChIKeyPEGVKYGOUSKXNU-ZDUSSCGKSA-N
XLogP0.48
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide 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 (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide?
The IUPAC name of (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide (CID 124802522) is (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide.
What is the SMILES notation for (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide?
The canonical SMILES for (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide is Cc1cnc(NCC[C@H]2CCOC23CN(S(=O)(=O)N(C)C)C3)nc1.
What is the InChIKey of (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide?
The InChIKey is PEGVKYGOUSKXNU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-12-8-17-14(18-9-12)16-6-4-13-5-7-23-15(13)10-20(11-15)24(21,22)19(2)3/h8-9,13H,4-7,10-11H2,1-3H3,(H,16,17,18)/t13-/m0/s1.
What are the key properties of (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide?
(8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide has a molecular weight of 355.46 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N,N-dimethyl-8-[2-[(5-methylpyrimidin-2-yl)amino]ethyl]-5-oxa-2-azaspiro[3.4]octane-2-sulfonamide is sourced from PubChem (CID 124802522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).