N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide

C16H28N4O2S2 — CID 131669504

IUPACN-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide
SMILESCN1CCC2(CCCN(Cc3nccs3)C2CNS(C)(=O)=O)CC1
InChIInChI=1S/C16H28N4O2S2/c1-19-9-5-16(6-10-19)4-3-8-20(13-15-17-7-11-23-15)14(16)12-18-24(2,21)22/h7,11,14,18H,3-6,8-10,12-13H2,1-2H3
InChIKeyUPCDSWBUKUZMEB-UHFFFAOYSA-N
MW372.56 g/mol
LogP1.37
Rot. Bonds5

About N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide

N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide (PubChem CID 131669504) has the molecular formula C16H28N4O2S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide
PubChem CID131669504
Molecular FormulaC16H28N4O2S2
Molecular Weight372.56 g/mol
Exact Mass372.17
IUPAC NameN-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide
SMILESCN1CCC2(CCCN(Cc3nccs3)C2CNS(C)(=O)=O)CC1
InChIInChI=1S/C16H28N4O2S2/c1-19-9-5-16(6-10-19)4-3-8-20(13-15-17-7-11-23-15)14(16)12-18-24(2,21)22/h7,11,14,18H,3-6,8-10,12-13H2,1-2H3
InChIKeyUPCDSWBUKUZMEB-UHFFFAOYSA-N
XLogP1.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,9-Diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole
CID 3234760
2-[(7-Methylsulfonyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]-1,3-thiazole
CID 3232888
2-((9-(Methylsulfonyl)-3,9-diazaspiro[5.5]undecan-3-yl)methyl)thiazole
CID 3233035
2-[[(5S)-7-methylsulfonyl-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole
CID 3233242
2-(2,9-Diazaspiro[5.5]undecan-2-ylmethyl)-1,3-thiazole
CID 3233525
2-[(3-Ethylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
CID 97370619
2-[(3-Cyclopropylsulfonyl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,3-thiazole
CID 97370620
2-[(1-Methylsulfonyl-1,8-diazaspiro[5.5]undecan-8-yl)methyl]-1,3-thiazole
CID 118742898
N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 155859830
3,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)piperidine-1-sulfonamide
CID 72153134
2-Amino-ethanesulfonic acid (1-isopropyl-piperidin-4-yl)-thiazol-2-ylmethyl-amide
CID 66625026
2-amino-N-[(1-propan-2-ylpiperidin-4-yl)-(1,3-thiazol-2-yl)methyl]ethanesulfonamide
CID 69106639

Frequently Asked Questions

What is the IUPAC name of N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide (CID 131669504) is N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide is CN1CCC2(CCCN(Cc3nccs3)C2CNS(C)(=O)=O)CC1.
What is the InChIKey of N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide?
The InChIKey is UPCDSWBUKUZMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S2/c1-19-9-5-16(6-10-19)4-3-8-20(13-15-17-7-11-23-15)14(16)12-18-24(2,21)22/h7,11,14,18H,3-6,8-10,12-13H2,1-2H3.
What are the key properties of N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide?
N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide has a molecular weight of 372.56 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9-methyl-2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131669504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).