3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine

C14H21NOS — CID 64651157

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NOS/c1-10(15-3)11(2)17(16)14-8-7-12-5-4-6-13(12)9-14/h7-11,15H,4-6H2,1-3H3
InChIKeyHTELUCBMBFCZAP-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.28
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine

3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine (PubChem CID 64651157) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine
PubChem CID64651157
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine
SMILESCNC(C)C(C)S(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NOS/c1-10(15-3)11(2)17(16)14-8-7-12-5-4-6-13(12)9-14/h7-11,15H,4-6H2,1-3H3
InChIKeyHTELUCBMBFCZAP-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-2-methylbutanoate
CID 79414090
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methyl-1-phenylethanamine
CID 64651990
1-(2,3-dihydro-1H-inden-5-ylsulfinyl)-3,3-dimethylbutan-2-amine
CID 64652817
1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,3-dione
CID 82115674
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
N-(oxomethylidene)-2,3-dihydro-1H-indene-5-sulfinamide
CID 10512518
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-1-(4-methylphenyl)ethanone
CID 64639088
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
CID 64653227
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine (CID 64651157) is 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine is CNC(C)C(C)S(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine?
The InChIKey is HTELUCBMBFCZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10(15-3)11(2)17(16)14-8-7-12-5-4-6-13(12)9-14/h7-11,15H,4-6H2,1-3H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine?
3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine has a molecular weight of 251.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-methylbutan-2-amine is sourced from PubChem (CID 64651157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).