N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

C12H27N3O2S — CID 63859970

IUPACN-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCN1CCC(NCC(C)(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C12H27N3O2S/c1-5-15-8-6-11(7-9-15)13-10-12(2,3)14-18(4,16)17/h11,13-14H,5-10H2,1-4H3
InChIKeyUVBGHPIWACQRFO-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.39
Rot. Bonds6

About N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859970) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859970
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCCN1CCC(NCC(C)(C)NS(C)(=O)=O)CC1
InChIInChI=1S/C12H27N3O2S/c1-5-15-8-6-11(7-9-15)13-10-12(2,3)14-18(4,16)17/h11,13-14H,5-10H2,1-4H3
InChIKeyUVBGHPIWACQRFO-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859970) is N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is CCN1CCC(NCC(C)(C)NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is UVBGHPIWACQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-5-15-8-6-11(7-9-15)13-10-12(2,3)14-18(4,16)17/h11,13-14H,5-10H2,1-4H3.
What are the key properties of N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethylpiperidin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).