2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine

C17H27NOS — CID 107759520

IUPAC2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1S(=O)C(C)C(C)C
InChIInChI=1S/C17H27NOS/c1-5-10-18-17-15-9-7-6-8-14(15)11-16(17)20(19)13(4)12(2)3/h6-9,12-13,16-18H,5,10-11H2,1-4H3
InChIKeyBDQRWNSYPQWVMY-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.45
Rot. Bonds6

About 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine

2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107759520) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107759520
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1S(=O)C(C)C(C)C
InChIInChI=1S/C17H27NOS/c1-5-10-18-17-15-9-7-6-8-14(15)11-16(17)20(19)13(4)12(2)3/h6-9,12-13,16-18H,5,10-11H2,1-4H3
InChIKeyBDQRWNSYPQWVMY-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-2-thiophen-2-ylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64653008
2-methylsulfinyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64654603
2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 64673627
6-methoxy-2-propan-2-ylsulfinyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79368758
2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 106447311
2-(2-methylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403727
2-N-methyl-2-N-(3-methylbutan-2-yl)-1-N-propyl-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 63469194
N-methyl-2-methylsulfinyl-2,3-dihydro-1H-inden-1-amine
CID 64656013
2-(oxetan-3-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 102606043
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 63631769
N-propyl-3-propylsulfinyl-3,4-dihydro-2H-chromen-4-amine
CID 64651960
2-butan-2-ylsulfinyl-N-ethyl-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115420303

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 107759520) is 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2ccccc2CC1S(=O)C(C)C(C)C.
What is the InChIKey of 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BDQRWNSYPQWVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-5-10-18-17-15-9-7-6-8-14(15)11-16(17)20(19)13(4)12(2)3/h6-9,12-13,16-18H,5,10-11H2,1-4H3.
What are the key properties of 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine?
2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 293.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107759520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).