(5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol

C14H24N4O3S — CID 110155791

IUPAC(5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol
SMILESCn1ccc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)n1
InChIInChI=1S/C14H24N4O3S/c1-16-8-4-12(15-16)10-17-9-6-14(13(19)11-17)5-3-7-18(14)22(2,20)21/h4,8,13,19H,3,5-7,9-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyABMTZCGTSOICMC-KBPBESRZSA-N
MW328.44 g/mol
LogP-0.22
Rot. Bonds3

About (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol

(5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol (PubChem CID 110155791) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol
PubChem CID110155791
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol
SMILESCn1ccc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)n1
InChIInChI=1S/C14H24N4O3S/c1-16-8-4-12(15-16)10-17-9-6-14(13(19)11-17)5-3-7-18(14)22(2,20)21/h4,8,13,19H,3,5-7,9-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyABMTZCGTSOICMC-KBPBESRZSA-N
XLogP-0.22
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol 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

(6R)-N,N-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 124957197
3-(chloromethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82870499
1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carbaldehyde
CID 82870725
1-[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone
CID 110156144
[1-[(1-methylpyrazol-3-yl)methyl]azetidin-3-yl]methanol
CID 82876865
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
3-chloro-4-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 102960205
[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110156174
4-bromo-1-[(1-methylpyrazol-3-yl)methyl]piperidine
CID 82871323
2-[1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 82868707
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol (CID 110155791) is (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol is Cn1ccc(CN2CC[C@@]3(CCCN3S(C)(=O)=O)[C@@H](O)C2)n1.
What is the InChIKey of (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol?
The InChIKey is ABMTZCGTSOICMC-KBPBESRZSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-16-8-4-12(15-16)10-17-9-6-14(13(19)11-17)5-3-7-18(14)22(2,20)21/h4,8,13,19H,3,5-7,9-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol?
(5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol has a molecular weight of 328.44 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110155791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).