N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

C13H28N2O3S — CID 63860568

IUPACN-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC1(O)CCCCCC1)NS(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-12(2,15-19(3,17)18)10-14-11-13(16)8-6-4-5-7-9-13/h14-16H,4-11H2,1-3H3
InChIKeyAEWPPLCVDPMOMX-UHFFFAOYSA-N
MW292.44 g/mol
LogP0.99
Rot. Bonds6

About N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63860568) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63860568
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC1(O)CCCCCC1)NS(C)(=O)=O
InChIInChI=1S/C13H28N2O3S/c1-12(2,15-19(3,17)18)10-14-11-13(16)8-6-4-5-7-9-13/h14-16H,4-11H2,1-3H3
InChIKeyAEWPPLCVDPMOMX-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide (CID 63860568) is N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCC1(O)CCCCCC1)NS(C)(=O)=O.
What is the InChIKey of N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is AEWPPLCVDPMOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-12(2,15-19(3,17)18)10-14-11-13(16)8-6-4-5-7-9-13/h14-16H,4-11H2,1-3H3.
What are the key properties of N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-hydroxycycloheptyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63860568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).