(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

C14H24N4O2S — CID 97482164

IUPAC(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-16-10-13(9-15-16)11-17-7-3-5-14(12-17)6-4-8-18(14)21(2,19)20/h9-10H,3-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyIDUXMYPDIZSYGE-AWEZNQCLSA-N
MW312.44 g/mol
LogP0.81
Rot. Bonds3

About (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane

(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (PubChem CID 97482164) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
PubChem CID97482164
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cn1
InChIInChI=1S/C14H24N4O2S/c1-16-10-13(9-15-16)11-17-7-3-5-14(12-17)6-4-8-18(14)21(2,19)20/h9-10H,3-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyIDUXMYPDIZSYGE-AWEZNQCLSA-N
XLogP0.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 97370808
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 131660791
2-cyclopropylsulfonyl-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 131649452
9-(furan-2-ylmethyl)-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 131639239
(3R)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815538
(3S)-N,N,3-trimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95815537
(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490258
7-[(6-methyl-2-pyridinyl)methyl]-1-methylsulfonyl-1,7-diazaspiro[4.4]nonane
CID 131641729
9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645106
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
4-[[3-(bromomethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130920691

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane (CID 97482164) is (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is Cn1cc(CN2CCC[C@]3(CCCN3S(C)(=O)=O)C2)cn1.
What is the InChIKey of (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
The InChIKey is IDUXMYPDIZSYGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-16-10-13(9-15-16)11-17-7-3-5-14(12-17)6-4-8-18(14)21(2,19)20/h9-10H,3-8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane?
(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane has a molecular weight of 312.44 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97482164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).