4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine

C10H20ClNOS — CID 106299611

IUPAC4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine
SMILESCSCCCNC1(CCl)CCOCC1
InChIInChI=1S/C10H20ClNOS/c1-14-8-2-5-12-10(9-11)3-6-13-7-4-10/h12H,2-9H2,1H3
InChIKeyNCPPJDOBJCPVGP-UHFFFAOYSA-N
MW237.80 g/mol
LogP2.12
Rot. Bonds6

About 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine

4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine (PubChem CID 106299611) has the molecular formula C10H20ClNOS and a molecular weight of 237.80 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine
PubChem CID106299611
Molecular FormulaC10H20ClNOS
Molecular Weight237.80 g/mol
Exact Mass237.10
IUPAC Name4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine
SMILESCSCCCNC1(CCl)CCOCC1
InChIInChI=1S/C10H20ClNOS/c1-14-8-2-5-12-10(9-11)3-6-13-7-4-10/h12H,2-9H2,1H3
InChIKeyNCPPJDOBJCPVGP-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-(2-methylsulfanylethyl)oxan-4-amine
CID 106299922
4-(chloromethyl)-N-heptyloxan-4-amine
CID 106299724
4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
CID 106300011
4-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106299632
4-(chloromethyl)-N-(3-pyrrolidin-1-ylpropyl)oxan-4-amine
CID 106299940
4-(chloromethyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 106299988
N-[4-(chloromethyl)oxan-4-yl]-2-methylsulfanylacetamide
CID 106300644
1-(chloromethyl)-N-(4-methoxybutyl)cyclopentan-1-amine
CID 104649733
[4-(3-aminopropylamino)oxan-4-yl]methanol
CID 106297046
1-(chloromethyl)-N-decylcyclohexan-1-amine
CID 65024500
N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylpropanamide
CID 106300401
1-(chloromethyl)-N-(3-fluoropropyl)-4-methylcyclohexan-1-amine
CID 81114643

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine (CID 106299611) is 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine is CSCCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine?
The InChIKey is NCPPJDOBJCPVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNOS/c1-14-8-2-5-12-10(9-11)3-6-13-7-4-10/h12H,2-9H2,1H3.
What are the key properties of 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine?
4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine has a molecular weight of 237.80 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-methylsulfanylpropyl)oxan-4-amine is sourced from PubChem (CID 106299611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).