2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

C16H23N3OS — CID 170143977

IUPAC2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCc1ncccc1SN1CC2(C1)CN(C1CCOCC1)C2
InChIInChI=1S/C16H23N3OS/c1-13-15(3-2-6-17-13)21-19-11-16(12-19)9-18(10-16)14-4-7-20-8-5-14/h2-3,6,14H,4-5,7-12H2,1H3
InChIKeyHRSXLPSUHZZCOS-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.19
Rot. Bonds3

About 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane

2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane (PubChem CID 170143977) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
PubChem CID170143977
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
SMILESCc1ncccc1SN1CC2(C1)CN(C1CCOCC1)C2
InChIInChI=1S/C16H23N3OS/c1-13-15(3-2-6-17-13)21-19-11-16(12-19)9-18(10-16)14-4-7-20-8-5-14/h2-3,6,14H,4-5,7-12H2,1H3
InChIKeyHRSXLPSUHZZCOS-UHFFFAOYSA-N
XLogP2.19
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2,4-dimethyl-6-(trifluoromethyl)-3-pyridinyl]sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 170143577
6-(oxan-4-yl)-2-[[2-(trifluoromethyl)-3-pyridinyl]sulfonyl]-2,6-diazaspiro[3.3]heptane
CID 169160908
2-[3-(1,1-difluoroethyl)-1-methylpyrazol-5-yl]sulfanyl-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 170143982
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 169160933
2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]sulfonyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane
CID 169161169
2-[[6-(difluoromethyl)-2-ethyl-3-pyridinyl]sulfanyl]-6-(4-methylcyclohexyl)-2,6-diazaspiro[3.3]heptane
CID 170144137
2-methyl-N-(oxepan-4-yl)pyridin-3-amine
CID 79042531
1-(oxan-4-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 172899349
[1-methyl-5-(oxan-4-yl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol
CID 162792765
11-(3-fluoro-2-pyridinyl)-2-(oxan-4-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane;bis(2,2,2-trifluoroacetic acid)
CID 155863191
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane (CID 170143977) is 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane is Cc1ncccc1SN1CC2(C1)CN(C1CCOCC1)C2.
What is the InChIKey of 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is HRSXLPSUHZZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-13-15(3-2-6-17-13)21-19-11-16(12-19)9-18(10-16)14-4-7-20-8-5-14/h2-3,6,14H,4-5,7-12H2,1H3.
What are the key properties of 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane?
2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 305.45 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyridinyl)sulfanyl]-6-(oxan-4-yl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 170143977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).