1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide

C8H18N2O3S — CID 71057840

IUPAC1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide
SMILESCONS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C8H18N2O3S/c1-13-10-14(11,12)7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3
InChIKeyRVUVJCAECIPPIQ-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.13
Rot. Bonds4

About 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide

1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide (PubChem CID 71057840) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide
PubChem CID71057840
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC Name1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide
SMILESCONS(=O)(=O)CC1(N)CCCCC1
InChIInChI=1S/C8H18N2O3S/c1-13-10-14(11,12)7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3
InChIKeyRVUVJCAECIPPIQ-UHFFFAOYSA-N
XLogP0.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide?
The IUPAC name of 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide (CID 71057840) is 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide.
What is the SMILES notation for 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide?
The canonical SMILES for 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide is CONS(=O)(=O)CC1(N)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide?
The InChIKey is RVUVJCAECIPPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-13-10-14(11,12)7-8(9)5-3-2-4-6-8/h10H,2-7,9H2,1H3.
What are the key properties of 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide?
1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide has a molecular weight of 222.31 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-N-methoxymethanesulfonamide is sourced from PubChem (CID 71057840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).