1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine

C11H17N3O2S — CID 116961806

IUPAC1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine
SMILESCNC(NN)c1ccc2c(c1)CCCS2(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-13-11(14-12)9-4-5-10-8(7-9)3-2-6-17(10,15)16/h4-5,7,11,13-14H,2-3,6,12H2,1H3
InChIKeyONSNRLUREXWCOF-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.09
Rot. Bonds3

About 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine

1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine (PubChem CID 116961806) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine
PubChem CID116961806
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine
SMILESCNC(NN)c1ccc2c(c1)CCCS2(=O)=O
InChIInChI=1S/C11H17N3O2S/c1-13-11(14-12)9-4-5-10-8(7-9)3-2-6-17(10,15)16/h4-5,7,11,13-14H,2-3,6,12H2,1H3
InChIKeyONSNRLUREXWCOF-UHFFFAOYSA-N
XLogP0.09
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-aminocyclopropyl)-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methanol
CID 116836223
N'-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]-N-methylethane-1,2-diamine
CID 115195897
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
N'-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]-N'-methylmethanediamine
CID 115225944
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide
CID 116932296
1-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methyl]cyclopropan-1-amine
CID 116932064
3-amino-1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-methylurea
CID 115192560
1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-3-methylurea
CID 115168931
2-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-N-(3-methylbutyl)acetamide
CID 110774321
(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)carbamothioic S-acid
CID 115169744
2-[(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methylamino]acetic acid
CID 115218041
(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-methylcyanamide
CID 117043257

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine?
The IUPAC name of 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine (CID 116961806) is 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine.
What is the SMILES notation for 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine?
The canonical SMILES for 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine is CNC(NN)c1ccc2c(c1)CCCS2(=O)=O.
What is the InChIKey of 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine?
The InChIKey is ONSNRLUREXWCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-13-11(14-12)9-4-5-10-8(7-9)3-2-6-17(10,15)16/h4-5,7,11,13-14H,2-3,6,12H2,1H3.
What are the key properties of 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine?
1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine has a molecular weight of 255.34 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-1-hydrazinyl-N-methylmethanamine is sourced from PubChem (CID 116961806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).