N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide

C12H25NO3S — CID 70811587

IUPACN-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide
SMILESCC(C)OC1(CN(C(C)(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO3S/c1-10(2)16-12(7-8-12)9-13(11(3,4)5)17(6,14)15/h10H,7-9H2,1-6H3
InChIKeyDIJFKFVLKJYTOH-UHFFFAOYSA-N
MW263.40 g/mol
LogP2.00
Rot. Bonds5

About N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide

N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide (PubChem CID 70811587) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide
PubChem CID70811587
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide
SMILESCC(C)OC1(CN(C(C)(C)C)S(C)(=O)=O)CC1
InChIInChI=1S/C12H25NO3S/c1-10(2)16-12(7-8-12)9-13(11(3,4)5)17(6,14)15/h10H,7-9H2,1-6H3
InChIKeyDIJFKFVLKJYTOH-UHFFFAOYSA-N
XLogP2.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide?
The IUPAC name of N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide (CID 70811587) is N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide.
What is the SMILES notation for N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide?
The canonical SMILES for N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide is CC(C)OC1(CN(C(C)(C)C)S(C)(=O)=O)CC1.
What is the InChIKey of N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide?
The InChIKey is DIJFKFVLKJYTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-10(2)16-12(7-8-12)9-13(11(3,4)5)17(6,14)15/h10H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide?
N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide has a molecular weight of 263.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(1-propan-2-yloxycyclopropyl)methyl]methanesulfonamide is sourced from PubChem (CID 70811587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).