N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine

C11H15NOS — CID 115258276

IUPACN-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine
SMILESCOCNc1ccc2c(c1)CCCS2
InChIInChI=1S/C11H15NOS/c1-13-8-12-10-4-5-11-9(7-10)3-2-6-14-11/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyBPGKAGDXLXUAOW-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.74
Rot. Bonds3

About N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine

N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine (PubChem CID 115258276) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine.

Molecular Properties

Compound NameN-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine
PubChem CID115258276
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameN-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine
SMILESCOCNc1ccc2c(c1)CCCS2
InChIInChI=1S/C11H15NOS/c1-13-8-12-10-4-5-11-9(7-10)3-2-6-14-11/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyBPGKAGDXLXUAOW-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3,4-dihydro-2H-thiochromen-6-ylamino)acetate
CID 115232712
N-(2-chloroethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115214647
N'-(3,4-dihydro-2H-thiochromen-6-yl)-2-methylpropane-1,3-diamine
CID 115198310
N'-(3,4-dihydro-2H-thiochromen-6-yl)propane-1,3-diamine
CID 115197135
1-amino-3-(3,4-dihydro-2H-thiochromen-6-ylamino)propan-2-ol
CID 115121169
3-N-(3,4-dihydro-2H-thiochromen-6-yl)-3-methylbutane-1,3-diamine
CID 115134491
3-amino-4-(3,4-dihydro-2H-thiochromen-6-ylamino)butanoic acid
CID 115241504
1-(3,4-dihydro-2H-thiochromen-6-yl)-N-(methoxymethyl)-N-methylmethanamine
CID 115258750
N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-6-amine
CID 115209215
6-(bromomethyl)-3,4-dihydro-2H-thiochromene
CID 116932395
N-(4-acetamidophenyl)-2-(3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 110774273
4-N-(3,4-dihydro-2H-thiochromen-6-yl)cyclohexane-1,4-diamine
CID 115149711

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine?
The IUPAC name of N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine (CID 115258276) is N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine.
What is the SMILES notation for N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine?
The canonical SMILES for N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine is COCNc1ccc2c(c1)CCCS2.
What is the InChIKey of N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine?
The InChIKey is BPGKAGDXLXUAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-8-12-10-4-5-11-9(7-10)3-2-6-14-11/h4-5,7,12H,2-3,6,8H2,1H3.
What are the key properties of N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine?
N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine has a molecular weight of 209.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-3,4-dihydro-2H-thiochromen-6-amine is sourced from PubChem (CID 115258276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).