N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide

C10H24N2O3S — CID 63859116

IUPACN-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCOCCC(C)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H24N2O3S/c1-9(6-7-15-4)11-8-10(2,3)12-16(5,13)14/h9,11-12H,6-8H2,1-5H3
InChIKeyQORNDALNBHJGSA-UHFFFAOYSA-N
MW252.38 g/mol
LogP0.33
Rot. Bonds8

About N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide

N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859116) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859116
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide
SMILESCOCCC(C)NCC(C)(C)NS(C)(=O)=O
InChIInChI=1S/C10H24N2O3S/c1-9(6-7-15-4)11-8-10(2,3)12-16(5,13)14/h9,11-12H,6-8H2,1-5H3
InChIKeyQORNDALNBHJGSA-UHFFFAOYSA-N
XLogP0.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide (CID 63859116) is N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide is COCCC(C)NCC(C)(C)NS(C)(=O)=O.
What is the InChIKey of N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is QORNDALNBHJGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-9(6-7-15-4)11-8-10(2,3)12-16(5,13)14/h9,11-12H,6-8H2,1-5H3.
What are the key properties of N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide?
N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 252.38 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxybutan-2-ylamino)-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).