(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane

C15H26N4O2S — CID 97370808

IUPAC(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
SMILESCn1cc(CN2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)cn1
InChIInChI=1S/C15H26N4O2S/c1-17-11-14(10-16-17)12-18-8-5-7-15(13-18)6-3-4-9-19(15)22(2,20)21/h10-11H,3-9,12-13H2,1-2H3/t15-/m1/s1
InChIKeyYMYWQPWYDGQVEW-OAHLLOKOSA-N
MW326.47 g/mol
LogP1.20
Rot. Bonds3

About (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane

(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane (PubChem CID 97370808) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
PubChem CID97370808
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
SMILESCn1cc(CN2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)cn1
InChIInChI=1S/C15H26N4O2S/c1-17-11-14(10-16-17)12-18-8-5-7-15(13-18)6-3-4-9-19(15)22(2,20)21/h10-11H,3-9,12-13H2,1-2H3/t15-/m1/s1
InChIKeyYMYWQPWYDGQVEW-OAHLLOKOSA-N
XLogP1.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,9-diazaspiro[4.5]decane
CID 97482164
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 131660791
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
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 (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The IUPAC name of (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane (CID 97370808) is (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane.
What is the SMILES notation for (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The canonical SMILES for (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane is Cn1cc(CN2CCC[C@]3(CCCCN3S(C)(=O)=O)C2)cn1.
What is the InChIKey of (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
The InChIKey is YMYWQPWYDGQVEW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-17-11-14(10-16-17)12-18-8-5-7-15(13-18)6-3-4-9-19(15)22(2,20)21/h10-11H,3-9,12-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane?
(6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane has a molecular weight of 326.47 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-[(1-methylpyrazol-4-yl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 97370808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).