6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C16H22ClNO2S — CID 83066625

IUPAC6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC1CCCS1(=O)=O
InChIInChI=1S/C16H22ClNO2S/c1-16(2)9-11-5-6-12(17)8-14(11)15(16)18-10-13-4-3-7-21(13,19)20/h5-6,8,13,15,18H,3-4,7,9-10H2,1-2H3
InChIKeyPTFWQHHGDQKLGJ-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.13
Rot. Bonds3

About 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 83066625) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID83066625
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC Name6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCC1(C)Cc2ccc(Cl)cc2C1NCC1CCCS1(=O)=O
InChIInChI=1S/C16H22ClNO2S/c1-16(2)9-11-5-6-12(17)8-14(11)15(16)18-10-13-4-3-7-21(13,19)20/h5-6,8,13,15,18H,3-4,7,9-10H2,1-2H3
InChIKeyPTFWQHHGDQKLGJ-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine with MolForge

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Related Compounds

4-[[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]methyl]cyclohexan-1-ol
CID 106125007
6-chloro-2,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-dihydroinden-1-amine
CID 106023954
6-chloro-2,2-dimethyl-N-(thian-2-ylmethyl)-1,3-dihydroinden-1-amine
CID 83066278
6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 81043114
6-chloro-N-(2-chloroprop-2-enyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 113464540
3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propan-1-ol
CID 83067295
N-[(4-bromophenyl)methyl]-6-chloro-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83065761
6-chloro-N-[(4-fluorophenyl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067455
N-[3-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]propyl]methanesulfonamide
CID 106332802
2-[(6-chloro-2,2-dimethyl-1,3-dihydroinden-1-yl)amino]-N,N-dimethylethanesulfonamide
CID 106334938
6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067284
6-chloro-N-(dicyclopropylmethyl)-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83066943

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 83066625) is 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is CC1(C)Cc2ccc(Cl)cc2C1NCC1CCCS1(=O)=O.
What is the InChIKey of 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is PTFWQHHGDQKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c1-16(2)9-11-5-6-12(17)8-14(11)15(16)18-10-13-4-3-7-21(13,19)20/h5-6,8,13,15,18H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 327.88 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1,1-dioxothiolan-2-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 83066625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).