N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide

C12H26N2O3S — CID 114146872

IUPACN-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CCCC(N)C1
InChIInChI=1S/C12H26N2O3S/c1-10(2)17-6-7-18(15,16)14-9-11-4-3-5-12(13)8-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyXDXKTWVWDBEKBF-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.85
Rot. Bonds7

About N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide

N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 114146872) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID114146872
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1CCCC(N)C1
InChIInChI=1S/C12H26N2O3S/c1-10(2)17-6-7-18(15,16)14-9-11-4-3-5-12(13)8-11/h10-12,14H,3-9,13H2,1-2H3
InChIKeyXDXKTWVWDBEKBF-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-2-ethoxyethanesulfonamide
CID 114146871
N-[(2-aminocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600162
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600521
3-[(propan-2-ylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126062
N-[(3-aminocyclopentyl)methyl]-3-methylbutane-1-sulfonamide
CID 106125438
N-[(2-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79593790
N-(piperidin-2-ylmethyl)-2-propan-2-yloxyethanesulfonamide
CID 79593606
N-[(3-aminocyclopentyl)methyl]-2-methylsulfonylethanesulfonamide
CID 114146780
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 79592869
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine
CID 81055685
3-[(tert-butylsulfamoylamino)methyl]cyclohexan-1-amine
CID 106126084
N-[[(4S)-1,3-dioxan-4-yl]methyl]-2-propan-2-yloxyethanesulfonamide
CID 97085411

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 114146872) is N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC1CCCC(N)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is XDXKTWVWDBEKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-10(2)17-6-7-18(15,16)14-9-11-4-3-5-12(13)8-11/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 114146872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).