N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide

C15H30N2O2S — CID 114817668

IUPACN-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCC2(CCCC2)CC1)NS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-14(2,17-20(3,18)19)12-16-13-6-10-15(11-7-13)8-4-5-9-15/h13,16-17H,4-12H2,1-3H3
InChIKeyMLYGIOMTAXRAOZ-UHFFFAOYSA-N
MW302.48 g/mol
LogP2.41
Rot. Bonds5

About N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide

N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide (PubChem CID 114817668) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide
PubChem CID114817668
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide
SMILESCC(C)(CNC1CCC2(CCCC2)CC1)NS(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-14(2,17-20(3,18)19)12-16-13-6-10-15(11-7-13)8-4-5-9-15/h13,16-17H,4-12H2,1-3H3
InChIKeyMLYGIOMTAXRAOZ-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859486
N-[1-[(4-ethylcycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 65088547
N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859970
N-[2-methyl-1-(thiolan-3-ylamino)propan-2-yl]methanesulfonamide
CID 63859971
N-[2-methyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-yl]methanesulfonamide
CID 63859794
2,2-dimethyl-3-(spiro[4.5]decan-8-ylamino)propan-1-ol
CID 114817814
N-[2-methyl-1-[(2-methylcyclohexyl)amino]propan-2-yl]methanesulfonamide
CID 63860145
N-[2-methyl-1-[[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-yl]amino]propan-2-yl]methanesulfonamide
CID 124845844
2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
CID 106245683
N-[1-[(2-hydroxycycloheptyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859680
2,4-dimethyl-1-(spiro[4.5]decan-8-ylamino)pentan-2-ol
CID 114817743
4,4-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)cyclohexan-1-amine
CID 79551881

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide (CID 114817668) is N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide is CC(C)(CNC1CCC2(CCCC2)CC1)NS(C)(=O)=O.
What is the InChIKey of N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide?
The InChIKey is MLYGIOMTAXRAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-14(2,17-20(3,18)19)12-16-13-6-10-15(11-7-13)8-4-5-9-15/h13,16-17H,4-12H2,1-3H3.
What are the key properties of N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide?
N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide has a molecular weight of 302.48 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(spiro[4.5]decan-8-ylamino)propan-2-yl]methanesulfonamide is sourced from PubChem (CID 114817668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).