N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide

C10H14N2OS — CID 130920984

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
SMILESCS(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C10H14N2OS/c1-14(13)12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5,11H2,1H3
InChIKeyGVWKLQXYQZDJDE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.14
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide (PubChem CID 130920984) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
PubChem CID130920984
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide
SMILESCS(=O)NC1CCc2cc(N)ccc21
InChIInChI=1S/C10H14N2OS/c1-14(13)12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5,11H2,1H3
InChIKeyGVWKLQXYQZDJDE-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,6-dimethylpiperidin-1-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 83009052
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-N-(1-methylsulfonylpropan-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741972
1-N-(ethylsulfamoyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 114811154
1-N-(3-methyl-1,1-dioxothiolan-3-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724800
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 79731461
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]propane-1,3-diol
CID 79740783
1-[4-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]piperidin-1-yl]ethanone
CID 79730766
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 79723350
1-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79742028
1-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 83116527
1-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-2-ol
CID 113492094

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide (CID 130920984) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide is CS(=O)NC1CCc2cc(N)ccc21.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide?
The InChIKey is GVWKLQXYQZDJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-14(13)12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10,12H,2,5,11H2,1H3.
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide has a molecular weight of 210.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)methanesulfinamide is sourced from PubChem (CID 130920984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).