(1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine

C13H23NOS — CID 102394617

IUPAC(1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)C1C=CC=C1S(=O)C(C)(C)C
InChIInChI=1S/C13H23NOS/c1-9(2)12(14)10-7-6-8-11(10)16(15)13(3,4)5/h6-10,12H,14H2,1-5H3/t10?,12-,16?/m0/s1
InChIKeyZJVWUDCMIKJEEM-YWFMTQBDSA-N
MW241.40 g/mol
LogP2.59
Rot. Bonds3

About (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine

(1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine (PubChem CID 102394617) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine
PubChem CID102394617
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name(1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine
SMILESCC(C)[C@H](N)C1C=CC=C1S(=O)C(C)(C)C
InChIInChI=1S/C13H23NOS/c1-9(2)12(14)10-7-6-8-11(10)16(15)13(3,4)5/h6-10,12H,14H2,1-5H3/t10?,12-,16?/m0/s1
InChIKeyZJVWUDCMIKJEEM-YWFMTQBDSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z,4Z)-4-ethylidene-1-fluoro-7-(1-oxo-3,6-dihydro-2H-thiopyran-4-yl)oct-5-en-2-amine
CID 143418320
4-[(Z)-but-1-enyl]-5-ethenyl-1-oxo-2,3-dihydrothiophen-3-amine;ethane
CID 143601982
2,2,5-trimethyl-5-[(3E)-2-methylhexa-3,5-dien-3-yl]sulfanylcyclopent-3-en-1-amine
CID 167200094

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine?
The IUPAC name of (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine (CID 102394617) is (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine is CC(C)[C@H](N)C1C=CC=C1S(=O)C(C)(C)C.
What is the InChIKey of (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine?
The InChIKey is ZJVWUDCMIKJEEM-YWFMTQBDSA-N. The full InChI is InChI=1S/C13H23NOS/c1-9(2)12(14)10-7-6-8-11(10)16(15)13(3,4)5/h6-10,12H,14H2,1-5H3/t10?,12-,16?/m0/s1.
What are the key properties of (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine?
(1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-tert-butylsulfinylcyclopenta-2,4-dien-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 102394617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).