N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine

C9H13NO2S — CID 84775407

IUPACN-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine
SMILESCN(O)Cc1cc2c(s1)CCOC2
InChIInChI=1S/C9H13NO2S/c1-10(11)5-8-4-7-6-12-3-2-9(7)13-8/h4,11H,2-3,5-6H2,1H3
InChIKeyMIIYATZMUAVOOJ-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.64
Rot. Bonds2

About N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine

N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine (PubChem CID 84775407) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine
PubChem CID84775407
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC NameN-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine
SMILESCN(O)Cc1cc2c(s1)CCOC2
InChIInChI=1S/C9H13NO2S/c1-10(11)5-8-4-7-6-12-3-2-9(7)13-8/h4,11H,2-3,5-6H2,1H3
InChIKeyMIIYATZMUAVOOJ-UHFFFAOYSA-N
XLogP1.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4H,6H,7H-thieno(3,2-c)pyran-2-yl)methanamine
CID 53397586
(5-Methyl-4,5,6,7-tetrahydro-thieno[3,2-c]pyridin-2-yl)-methanol
CID 21941480
4-ethoxy-5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 53638963
N-cyclohexyl-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-amine
CID 67255292
(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-methylcarbamic acid
CID 67256429
6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl(methyl)carbamic acid
CID 67257932
2-(4-Methyl-1,3-dioxetan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 70884382
(7R)-N-ethyl-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine
CID 123214028
butyl N-(2-iodo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)-N-methylcarbamate
CID 141302482
N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine
CID 155682850
(7S)-N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine
CID 155682851
N,N-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyran-7-amine;hydrochloride
CID 155682852

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine?
The IUPAC name of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine (CID 84775407) is N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine.
What is the SMILES notation for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine?
The canonical SMILES for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine is CN(O)Cc1cc2c(s1)CCOC2.
What is the InChIKey of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine?
The InChIKey is MIIYATZMUAVOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-10(11)5-8-4-7-6-12-3-2-9(7)13-8/h4,11H,2-3,5-6H2,1H3.
What are the key properties of N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine?
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine has a molecular weight of 199.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-ylmethyl)-N-methylhydroxylamine is sourced from PubChem (CID 84775407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).