1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol

C8H16ClNO3S — CID 146285880

IUPAC1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(O)(CNCl)CC1
InChIInChI=1S/C8H16ClNO3S/c1-14(12,13)7-2-4-8(11,5-3-7)6-10-9/h7,10-11H,2-6H2,1H3
InChIKeyKUKCCSUNHQWYGY-UHFFFAOYSA-N
MW241.74 g/mol
LogP0.45
Rot. Bonds3

About 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol

1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol (PubChem CID 146285880) has the molecular formula C8H16ClNO3S and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol
PubChem CID146285880
Molecular FormulaC8H16ClNO3S
Molecular Weight241.74 g/mol
Exact Mass241.05
IUPAC Name1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol
SMILESCS(=O)(=O)C1CCC(O)(CNCl)CC1
InChIInChI=1S/C8H16ClNO3S/c1-14(12,13)7-2-4-8(11,5-3-7)6-10-9/h7,10-11H,2-6H2,1H3
InChIKeyKUKCCSUNHQWYGY-UHFFFAOYSA-N
XLogP0.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol?
The IUPAC name of 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol (CID 146285880) is 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol is CS(=O)(=O)C1CCC(O)(CNCl)CC1.
What is the InChIKey of 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol?
The InChIKey is KUKCCSUNHQWYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3S/c1-14(12,13)7-2-4-8(11,5-3-7)6-10-9/h7,10-11H,2-6H2,1H3.
What are the key properties of 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol?
1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol has a molecular weight of 241.74 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(chloroamino)methyl]-4-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 146285880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).