N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide

C12H26N2O3S — CID 79594656

IUPACN-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-11(2)17-8-9-18(15,16)14-10-12(13)6-4-3-5-7-12/h11,14H,3-10,13H2,1-2H3
InChIKeyJEIUUYBPRTYFQZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.99
Rot. Bonds7

About N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide

N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 79594656) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID79594656
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1(N)CCCCC1
InChIInChI=1S/C12H26N2O3S/c1-11(2)17-8-9-18(15,16)14-10-12(13)6-4-3-5-7-12/h11,14H,3-10,13H2,1-2H3
InChIKeyJEIUUYBPRTYFQZ-UHFFFAOYSA-N
XLogP0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 79594656) is N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC1(N)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is JEIUUYBPRTYFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11(2)17-8-9-18(15,16)14-10-12(13)6-4-3-5-7-12/h11,14H,3-10,13H2,1-2H3.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 79594656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).